(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)carbamodithioic acid - N,N-diethylethanamine (1:1)
TL;DR: (3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)carbamodithioic acid - N,N-diethylethanamine (1:1) (CAS 46395-86-2) is a chemical compound with molecular formula C10H10N2S3 and molecular weight 254.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamodithioic acid
Also Known As: (3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)carbamodithioic acid - N,N-diethylethanamine (1:1), (3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamodithioic acid, carbamodithioic acid, (3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-, compd. with N,N-diethylethanamine (1:1), [(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]methanedithioic Acid
| Molecular Formula | C10H10N2S3 |
|---|---|
| Molecular Weight | 254.00 g/mol |
| LogP | 3.12518 |
| Topological Polar Surface Area | 35.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 254.00061 |
| Heavy Atoms | 15 |
| Complexity | 442.25537 |
Chemical Identifiers
| CAS Number | 46395-86-2 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=S)S)C#N |
Product Overview
(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)carbamodithioic acid - N,N-diethylethanamine (1:1) (CAS 46395-86-2), with molecular formula C10H10N2S3 and molecular weight 254.00 g/mol. IUPAC: (3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamodithioic acid.
Chemical Property Profile of (3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)carbamodithioic acid - N,N-diethylethanamine (1:1)
Property Insights of (3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)carbamodithioic acid - N,N-diethylethanamine (1:1)
The XLogP value of 3.12518 indicates that (3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)carbamodithioic acid - N,N-diethylethanamine (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.82 Ų, (3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)carbamodithioic acid - N,N-diethylethanamine (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)carbamodithioic acid - N,N-diethylethanamine (1:1) has 2 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 (3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)carbamodithioic acid - N,N-diethylethanamine (1:1)?
The CAS number of (3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)carbamodithioic acid - N,N-diethylethanamine (1:1) is 46395-86-2.
What is the molecular formula of (3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)carbamodithioic acid - N,N-diethylethanamine (1:1)?
The molecular formula of (3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)carbamodithioic acid - N,N-diethylethanamine (1:1) is C10H10N2S3.
What is the molecular weight of (3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)carbamodithioic acid - N,N-diethylethanamine (1:1)?
The molecular weight of (3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)carbamodithioic acid - N,N-diethylethanamine (1:1) is 254.00 g/mol.
Where can I buy (3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)carbamodithioic acid - N,N-diethylethanamine (1:1)?
You can request a quote for (3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)carbamodithioic acid - N,N-diethylethanamine (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)carbamodithioic acid - N,N-diethylethanamine (1:1)?
Yes, KEHONG BIO provides custom synthesis services for (3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)carbamodithioic acid - N,N-diethylethanamine (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.