SEO1W04YNG
TL;DR: SEO1W04YNG (CAS 80886-98-2) is a chemical compound with molecular formula C16H10N4S6 and molecular weight 449.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzothiazol-2-ylcarbamothioylsulfanyl N-(1,3-benzothiazol-2-yl)carbamodithioate
Also Known As: N,N'-Bis(2-benzothiazolyl)thioperoxydicarbonicdiamide, 1,3-benzothiazol-2-ylcarbamothioylsulfanyl N-(1,3-benzothiazol-2-yl)carbamodithioate, 2-((1,3-Benzothiazol-2-ylamino)carbonothioyldithio-carbonothioyl-amino)-1,3-benzothiazole, 2-[(1,3-Benzothiazol-2-ylamino)carbonothioyldithio-carbonothioyl-amino]-1,3-benzothiazole, N-benzothiazol-2-yl-1-(benzothiazol-2-ylthiocarbamoyldisulfanyl)methanethioamide
| Molecular Formula | C16H10N4S6 |
|---|---|
| Molecular Weight | 449.92 g/mol |
| LogP | 6.3812 |
| Topological Polar Surface Area | 49.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 449.92297 |
| Heavy Atoms | 26 |
| Complexity | 948.224 |
Chemical Identifiers
| CAS Number | 80886-98-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)NC(=S)SSC(=S)NC3=NC4=CC=CC=C4S3 |
Product Overview
SEO1W04YNG (CAS 80886-98-2), with molecular formula C16H10N4S6 and molecular weight 449.92 g/mol. IUPAC: 1,3-benzothiazol-2-ylcarbamothioylsulfanyl N-(1,3-benzothiazol-2-yl)carbamodithioate.
Chemical Property Profile of SEO1W04YNG
Property Insights of SEO1W04YNG
The XLogP value of 6.3812 indicates that SEO1W04YNG is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.84 Ų, SEO1W04YNG exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, SEO1W04YNG has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of SEO1W04YNG?
The CAS number of SEO1W04YNG is 80886-98-2.
What is the molecular formula of SEO1W04YNG?
The molecular formula of SEO1W04YNG is C16H10N4S6.
What is the molecular weight of SEO1W04YNG?
The molecular weight of SEO1W04YNG is 449.92 g/mol.
Where can I buy SEO1W04YNG?
You can request a quote for SEO1W04YNG directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SEO1W04YNG?
Yes, KEHONG BIO provides custom synthesis services for SEO1W04YNG and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.