4-(N-Isopropylthiocarbamoylaminomethyl)-1(3),4,6,7-tetrahydro-1(3)H-thiopyrano(3,4-d)imidazole
TL;DR: 4-(N-Isopropylthiocarbamoylaminomethyl)-1(3),4,6,7-tetrahydro-1(3)H-thiopyrano(3,4-d)imidazole (CAS 100650-79-1) is a chemical compound with molecular formula C11H16N4OS5 and molecular weight 379.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-propan-2-yl-3-[[1,4,6,7-tetrakis(sulfanyl)pyrano[3,4-d]imidazol-4-yl]methyl]thiourea
Also Known As: 4-(N-Isopropylthiocarbamoylaminomethyl)-1(3),4,6,7-tetrahydro-1(3)H-thiopyrano(3,4-d)imidazole, Thiourea, N-(1-methylethyl)-N'-((1,4,6,7-tetrahydropyrano(3,4-d)imidazol-4-yl)methyl), 1-propan-2-yl-3-[[1,4,6,7-tetrakis(sulfanyl)pyrano[3,4-d]imidazol-4-yl]methyl]thiourea, Pyrano[3,4-d]imidazole, 4-(chloromethyl)-1,4,6,7-tetrahydro-, 2-Piperidinecarbonitrile,1-[(6,7-dihydropyrano[3,4-d]imidazol-3(4H)-yl)methyl]-
| Molecular Formula | C11H16N4OS5 |
|---|---|
| Molecular Weight | 379.99 g/mol |
| LogP | 2.047 |
| Topological Polar Surface Area | 51.11 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 379.99277 |
| Heavy Atoms | 21 |
| Complexity | 599.4341 |
Chemical Identifiers
| CAS Number | 100650-79-1 |
|---|---|
| SMILES | CC(C)NC(=S)NCC1(C2=C(C(=C(O1)S)S)N(C=N2)S)S |
Product Overview
4-(N-Isopropylthiocarbamoylaminomethyl)-1(3),4,6,7-tetrahydro-1(3)H-thiopyrano(3,4-d)imidazole (CAS 100650-79-1), with molecular formula C11H16N4OS5 and molecular weight 379.99 g/mol. IUPAC: 1-propan-2-yl-3-[[1,4,6,7-tetrakis(sulfanyl)pyrano[3,4-d]imidazol-4-yl]methyl]thiourea.
Chemical Property Profile of 4-(N-Isopropylthiocarbamoylaminomethyl)-1(3),4,6,7-tetrahydro-1(3)H-thiopyrano(3,4-d)imidazole
Property Insights of 4-(N-Isopropylthiocarbamoylaminomethyl)-1(3),4,6,7-tetrahydro-1(3)H-thiopyrano(3,4-d)imidazole
The XLogP value of 2.047 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(N-Isopropylthiocarbamoylaminomethyl)-1(3),4,6,7-tetrahydro-1(3)H-thiopyrano(3,4-d)imidazole. With a topological polar surface area (TPSA) of 51.11 Ų, 4-(N-Isopropylthiocarbamoylaminomethyl)-1(3),4,6,7-tetrahydro-1(3)H-thiopyrano(3,4-d)imidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(N-Isopropylthiocarbamoylaminomethyl)-1(3),4,6,7-tetrahydro-1(3)H-thiopyrano(3,4-d)imidazole has 6 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(N-Isopropylthiocarbamoylaminomethyl)-1(3),4,6,7-tetrahydro-1(3)H-thiopyrano(3,4-d)imidazole?
The CAS number of 4-(N-Isopropylthiocarbamoylaminomethyl)-1(3),4,6,7-tetrahydro-1(3)H-thiopyrano(3,4-d)imidazole is 100650-79-1.
What is the molecular formula of 4-(N-Isopropylthiocarbamoylaminomethyl)-1(3),4,6,7-tetrahydro-1(3)H-thiopyrano(3,4-d)imidazole?
The molecular formula of 4-(N-Isopropylthiocarbamoylaminomethyl)-1(3),4,6,7-tetrahydro-1(3)H-thiopyrano(3,4-d)imidazole is C11H16N4OS5.
What is the molecular weight of 4-(N-Isopropylthiocarbamoylaminomethyl)-1(3),4,6,7-tetrahydro-1(3)H-thiopyrano(3,4-d)imidazole?
The molecular weight of 4-(N-Isopropylthiocarbamoylaminomethyl)-1(3),4,6,7-tetrahydro-1(3)H-thiopyrano(3,4-d)imidazole is 379.99 g/mol.
Where can I buy 4-(N-Isopropylthiocarbamoylaminomethyl)-1(3),4,6,7-tetrahydro-1(3)H-thiopyrano(3,4-d)imidazole?
You can request a quote for 4-(N-Isopropylthiocarbamoylaminomethyl)-1(3),4,6,7-tetrahydro-1(3)H-thiopyrano(3,4-d)imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(N-Isopropylthiocarbamoylaminomethyl)-1(3),4,6,7-tetrahydro-1(3)H-thiopyrano(3,4-d)imidazole?
Yes, KEHONG BIO provides custom synthesis services for 4-(N-Isopropylthiocarbamoylaminomethyl)-1(3),4,6,7-tetrahydro-1(3)H-thiopyrano(3,4-d)imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.