1-Methylsulfanyl-n-(1-pyridin-2-ylpropan-2-ylideneamino)methanethioamide
TL;DR: 1-Methylsulfanyl-n-(1-pyridin-2-ylpropan-2-ylideneamino)methanethioamide (CAS 84607-91-0) is a chemical compound with molecular formula C10H13N3S2 and molecular weight 239.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(1-pyridin-2-ylpropan-2-ylideneamino)carbamodithioate
Also Known As: methyl N-(1-pyridin-2-ylpropan-2-ylideneamino)carbamodithioate, methyl N-[(E)-1-pyridin-2-ylpropan-2-ylideneamino]carbamodit, 1-Methylsulfanyl-n-(1-pyridin-2-ylpropan-2-ylideneamino)methanethioamide
| Molecular Formula | C10H13N3S2 |
|---|---|
| Molecular Weight | 239.06 g/mol |
| LogP | 2.2375 |
| Topological Polar Surface Area | 37.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.05508 |
| Heavy Atoms | 15 |
| Complexity | 348.94495 |
Chemical Identifiers
| CAS Number | 84607-91-0 |
|---|---|
| SMILES | CC(=NNC(=S)SC)CC1=CC=CC=N1 |
Product Overview
1-Methylsulfanyl-n-(1-pyridin-2-ylpropan-2-ylideneamino)methanethioamide (CAS 84607-91-0), with molecular formula C10H13N3S2 and molecular weight 239.06 g/mol. IUPAC: methyl N-(1-pyridin-2-ylpropan-2-ylideneamino)carbamodithioate.
Chemical Property Profile of 1-Methylsulfanyl-n-(1-pyridin-2-ylpropan-2-ylideneamino)methanethioamide
Property Insights of 1-Methylsulfanyl-n-(1-pyridin-2-ylpropan-2-ylideneamino)methanethioamide
The XLogP value of 2.2375 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methylsulfanyl-n-(1-pyridin-2-ylpropan-2-ylideneamino)methanethioamide. With a topological polar surface area (TPSA) of 37.28 Ų, 1-Methylsulfanyl-n-(1-pyridin-2-ylpropan-2-ylideneamino)methanethioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylsulfanyl-n-(1-pyridin-2-ylpropan-2-ylideneamino)methanethioamide has 1 hydrogen bond donor(s) and 4 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-Methylsulfanyl-n-(1-pyridin-2-ylpropan-2-ylideneamino)methanethioamide?
The CAS number of 1-Methylsulfanyl-n-(1-pyridin-2-ylpropan-2-ylideneamino)methanethioamide is 84607-91-0.
What is the molecular formula of 1-Methylsulfanyl-n-(1-pyridin-2-ylpropan-2-ylideneamino)methanethioamide?
The molecular formula of 1-Methylsulfanyl-n-(1-pyridin-2-ylpropan-2-ylideneamino)methanethioamide is C10H13N3S2.
What is the molecular weight of 1-Methylsulfanyl-n-(1-pyridin-2-ylpropan-2-ylideneamino)methanethioamide?
The molecular weight of 1-Methylsulfanyl-n-(1-pyridin-2-ylpropan-2-ylideneamino)methanethioamide is 239.06 g/mol.
Where can I buy 1-Methylsulfanyl-n-(1-pyridin-2-ylpropan-2-ylideneamino)methanethioamide?
You can request a quote for 1-Methylsulfanyl-n-(1-pyridin-2-ylpropan-2-ylideneamino)methanethioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methylsulfanyl-n-(1-pyridin-2-ylpropan-2-ylideneamino)methanethioamide?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylsulfanyl-n-(1-pyridin-2-ylpropan-2-ylideneamino)methanethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.