Carbamodithioic acid, 2-propenyl-
TL;DR: Carbamodithioic acid, 2-propenyl- (CAS 44602-38-2) is a chemical compound with molecular formula C4H7NS2 and molecular weight 133.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enylcarbamodithioic acid
Also Known As: allyl-dithiocarbamic acid, N-Allyldithiocarbamic acid, Dithiokohlensaeure-allylamid, prop-2-enylcarbamodithioic acid, Carbamodithioic acid, 2-propenyl-
| Molecular Formula | C4H7NS2 |
|---|---|
| Molecular Weight | 133.00 g/mol |
| LogP | 0.9767 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 133.002 |
| Heavy Atoms | 7 |
| Complexity | 79.75898 |
Chemical Identifiers
| CAS Number | 44602-38-2 |
|---|---|
| SMILES | C=CCNC(=S)S |
Product Overview
Carbamodithioic acid, 2-propenyl- (CAS 44602-38-2), with molecular formula C4H7NS2 and molecular weight 133.00 g/mol. IUPAC: prop-2-enylcarbamodithioic acid.
Chemical Property Profile of Carbamodithioic acid, 2-propenyl-
Property Insights of Carbamodithioic acid, 2-propenyl-
The XLogP value of 0.9767 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamodithioic acid, 2-propenyl-. With a topological polar surface area (TPSA) of 12.03 Ų, Carbamodithioic acid, 2-propenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamodithioic acid, 2-propenyl- has 2 hydrogen bond donor(s) and 1 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 Carbamodithioic acid, 2-propenyl-?
The CAS number of Carbamodithioic acid, 2-propenyl- is 44602-38-2.
What is the molecular formula of Carbamodithioic acid, 2-propenyl-?
The molecular formula of Carbamodithioic acid, 2-propenyl- is C4H7NS2.
What is the molecular weight of Carbamodithioic acid, 2-propenyl-?
The molecular weight of Carbamodithioic acid, 2-propenyl- is 133.00 g/mol.
Where can I buy Carbamodithioic acid, 2-propenyl-?
You can request a quote for Carbamodithioic acid, 2-propenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamodithioic acid, 2-propenyl-?
Yes, KEHONG BIO provides custom synthesis services for Carbamodithioic acid, 2-propenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.