1,3-Benzothiazole-2-sulfonic acid;benzylthiourea
TL;DR: 1,3-Benzothiazole-2-sulfonic acid;benzylthiourea (CAS 63181-83-9) is a chemical compound with molecular formula C15H15N3O3S3 and molecular weight 381.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzothiazole-2-sulfonic acid;benzylthiourea
Also Known As: EINECS 263-985-8, 1,3-benzothiazole-2-sulfonic acid; benzylthiourea, Benzothiazole-2-sulphonic acid, compound with benzyl amidinothioate (1:1), 2-Benzothiazolesulfonic acid, compd. with phenylmethyl carbamimidothioate (1:1)
| Molecular Formula | C15H15N3O3S3 |
|---|---|
| Molecular Weight | 381.03 g/mol |
| LogP | 2.5628 |
| Topological Polar Surface Area | 105.31 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 381.02756 |
| Heavy Atoms | 24 |
| Complexity | 891.5471 |
Chemical Identifiers
| CAS Number | 63181-83-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=S)N.C1=CC=C2C(=C1)N=C(S2)S(=O)(=O)O |
Product Overview
1,3-Benzothiazole-2-sulfonic acid;benzylthiourea (CAS 63181-83-9), with molecular formula C15H15N3O3S3 and molecular weight 381.03 g/mol. IUPAC: 1,3-benzothiazole-2-sulfonic acid;benzylthiourea.
Chemical Property Profile of 1,3-Benzothiazole-2-sulfonic acid;benzylthiourea
Property Insights of 1,3-Benzothiazole-2-sulfonic acid;benzylthiourea
The XLogP value of 2.5628 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzothiazole-2-sulfonic acid;benzylthiourea. The TPSA of 105.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzothiazole-2-sulfonic acid;benzylthiourea. Following Lipinski's Rule of Five, 1,3-Benzothiazole-2-sulfonic acid;benzylthiourea has 3 hydrogen bond donor(s) and 5 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 1,3-Benzothiazole-2-sulfonic acid;benzylthiourea?
The CAS number of 1,3-Benzothiazole-2-sulfonic acid;benzylthiourea is 63181-83-9.
What is the molecular formula of 1,3-Benzothiazole-2-sulfonic acid;benzylthiourea?
The molecular formula of 1,3-Benzothiazole-2-sulfonic acid;benzylthiourea is C15H15N3O3S3.
What is the molecular weight of 1,3-Benzothiazole-2-sulfonic acid;benzylthiourea?
The molecular weight of 1,3-Benzothiazole-2-sulfonic acid;benzylthiourea is 381.03 g/mol.
Where can I buy 1,3-Benzothiazole-2-sulfonic acid;benzylthiourea?
You can request a quote for 1,3-Benzothiazole-2-sulfonic acid;benzylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzothiazole-2-sulfonic acid;benzylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzothiazole-2-sulfonic acid;benzylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.