N-(Prop-2-en-1-yl)-1H-benzotriazole-1-carbothioamide
TL;DR: N-(Prop-2-en-1-yl)-1H-benzotriazole-1-carbothioamide (CAS 690634-06-1) is a chemical compound with molecular formula C10H10N4S and molecular weight 218.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-prop-2-enylbenzotriazole-1-carbothioamide
Also Known As: N-Allyl-1H-1,2,3-benzotriazole-1-carbothioamide, allylbenzotriazolecarbothioamide, N-prop-2-enylbenzotriazole-1-carbothioamide, N-Allyl-1H-benzo[d][1,2,3]triazole-1-carbothioamide, N-allylbenzotriazole-1-carbothioamide
| Molecular Formula | C10H10N4S |
|---|---|
| Molecular Weight | 218.06 g/mol |
| LogP | 1.3399 |
| Topological Polar Surface Area | 42.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.06262 |
| Heavy Atoms | 15 |
| Complexity | 502.84662 |
Chemical Identifiers
| CAS Number | 690634-06-1 |
|---|---|
| SMILES | C=CCNC(=S)N1C2=CC=CC=C2N=N1 |
Product Overview
N-(Prop-2-en-1-yl)-1H-benzotriazole-1-carbothioamide (CAS 690634-06-1), with molecular formula C10H10N4S and molecular weight 218.06 g/mol. IUPAC: N-prop-2-enylbenzotriazole-1-carbothioamide.
Chemical Property Profile of N-(Prop-2-en-1-yl)-1H-benzotriazole-1-carbothioamide
Property Insights of N-(Prop-2-en-1-yl)-1H-benzotriazole-1-carbothioamide
The XLogP value of 1.3399 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(Prop-2-en-1-yl)-1H-benzotriazole-1-carbothioamide. With a topological polar surface area (TPSA) of 42.74 Ų, N-(Prop-2-en-1-yl)-1H-benzotriazole-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(Prop-2-en-1-yl)-1H-benzotriazole-1-carbothioamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(Prop-2-en-1-yl)-1H-benzotriazole-1-carbothioamide?
The CAS number of N-(Prop-2-en-1-yl)-1H-benzotriazole-1-carbothioamide is 690634-06-1.
What is the molecular formula of N-(Prop-2-en-1-yl)-1H-benzotriazole-1-carbothioamide?
The molecular formula of N-(Prop-2-en-1-yl)-1H-benzotriazole-1-carbothioamide is C10H10N4S.
What is the molecular weight of N-(Prop-2-en-1-yl)-1H-benzotriazole-1-carbothioamide?
The molecular weight of N-(Prop-2-en-1-yl)-1H-benzotriazole-1-carbothioamide is 218.06 g/mol.
Where can I buy N-(Prop-2-en-1-yl)-1H-benzotriazole-1-carbothioamide?
You can request a quote for N-(Prop-2-en-1-yl)-1H-benzotriazole-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(Prop-2-en-1-yl)-1H-benzotriazole-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(Prop-2-en-1-yl)-1H-benzotriazole-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.