![(BENZO[3,4-D]1,3-DIOXOLEN-5-YLAMINO)((4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLTHIO))PHENYL)AMINO)METHANE-1-THIONE structure](/static/products/1024/1024400-92-7.webp)
(BENZO[3,4-D]1,3-DIOXOLEN-5-YLAMINO)((4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLTHIO))PHENYL)AMINO)METHANE-1-THIONE
TL;DR: (BENZO[3,4-D]1,3-DIOXOLEN-5-YLAMINO)((4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLTHIO))PHENYL)AMINO)METHANE-1-THIONE (CAS 1024400-92-7) is a chemical compound with molecular formula C20H13ClF3N3O2S2 and molecular weight 483.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-3-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]thiourea
Also Known As: (BENZO[3,4-D]1,3-DIOXOLEN-5-YLAMINO)((4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLTHIO))PHENYL)AMINO)METHANE-1-THIONE, 1-(1,3-benzodioxol-5-yl)-3-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylphenyl]thiourea, 1-(1,3-benzodioxol-5-yl)-3-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanyl]phenyl]thiourea, 1-benzo[1,3]dioxol-5-yl-3-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylphenyl]thiourea, 3-(2H-1,3-benzodioxol-5-yl)-1-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}phenyl)thiourea
| Molecular Formula | C20H13ClF3N3O2S2 |
|---|---|
| Molecular Weight | 483.01 g/mol |
| LogP | 6.4426 |
| Topological Polar Surface Area | 55.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 483.00897 |
| Heavy Atoms | 31 |
| Complexity | 1127.6432 |
Chemical Identifiers
| CAS Number | 1024400-92-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=S)NC3=CC=C(C=C3)SC4=C(C=C(C=N4)C(F)(F)F)Cl |
Product Overview
(BENZO[3,4-D]1,3-DIOXOLEN-5-YLAMINO)((4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLTHIO))PHENYL)AMINO)METHANE-1-THIONE (CAS 1024400-92-7), with molecular formula C20H13ClF3N3O2S2 and molecular weight 483.01 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-3-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]thiourea.
Chemical Property Profile of (BENZO[3,4-D]1,3-DIOXOLEN-5-YLAMINO)((4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLTHIO))PHENYL)AMINO)METHANE-1-THIONE
Property Insights of (BENZO[3,4-D]1,3-DIOXOLEN-5-YLAMINO)((4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLTHIO))PHENYL)AMINO)METHANE-1-THIONE
The XLogP value of 6.4426 indicates that (BENZO[3,4-D]1,3-DIOXOLEN-5-YLAMINO)((4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLTHIO))PHENYL)AMINO)METHANE-1-THIONE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.41 Ų, (BENZO[3,4-D]1,3-DIOXOLEN-5-YLAMINO)((4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLTHIO))PHENYL)AMINO)METHANE-1-THIONE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (BENZO[3,4-D]1,3-DIOXOLEN-5-YLAMINO)((4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLTHIO))PHENYL)AMINO)METHANE-1-THIONE has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (BENZO[3,4-D]1,3-DIOXOLEN-5-YLAMINO)((4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLTHIO))PHENYL)AMINO)METHANE-1-THIONE?
The CAS number of (BENZO[3,4-D]1,3-DIOXOLEN-5-YLAMINO)((4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLTHIO))PHENYL)AMINO)METHANE-1-THIONE is 1024400-92-7.
What is the molecular formula of (BENZO[3,4-D]1,3-DIOXOLEN-5-YLAMINO)((4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLTHIO))PHENYL)AMINO)METHANE-1-THIONE?
The molecular formula of (BENZO[3,4-D]1,3-DIOXOLEN-5-YLAMINO)((4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLTHIO))PHENYL)AMINO)METHANE-1-THIONE is C20H13ClF3N3O2S2.
What is the molecular weight of (BENZO[3,4-D]1,3-DIOXOLEN-5-YLAMINO)((4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLTHIO))PHENYL)AMINO)METHANE-1-THIONE?
The molecular weight of (BENZO[3,4-D]1,3-DIOXOLEN-5-YLAMINO)((4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLTHIO))PHENYL)AMINO)METHANE-1-THIONE is 483.01 g/mol.
Where can I buy (BENZO[3,4-D]1,3-DIOXOLEN-5-YLAMINO)((4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLTHIO))PHENYL)AMINO)METHANE-1-THIONE?
You can request a quote for (BENZO[3,4-D]1,3-DIOXOLEN-5-YLAMINO)((4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLTHIO))PHENYL)AMINO)METHANE-1-THIONE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (BENZO[3,4-D]1,3-DIOXOLEN-5-YLAMINO)((4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLTHIO))PHENYL)AMINO)METHANE-1-THIONE?
Yes, KEHONG BIO provides custom synthesis services for (BENZO[3,4-D]1,3-DIOXOLEN-5-YLAMINO)((4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLTHIO))PHENYL)AMINO)METHANE-1-THIONE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.