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Benzoic acid, 3-[[(methylamino)thioxomethyl]amino]-
TL;DR: Benzoic acid, 3-[[(methylamino)thioxomethyl]amino]- (CAS 36639-87-9) is a chemical compound with molecular formula C9H10N2O2S and molecular weight 210.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(methylcarbamothioylamino)benzoic acid
Also Known As: Benzoic acid, 3-[[(methylamino)thioxomethyl]amino]-, 3-[(METHYLCARBAMOTHIOYL)AMINO]BENZOIC ACID, SDCCGMLS-0065241.P001, 3-(methylcarbamothioylamino)benzoic acid, 3-(N'-methylthioureido)-benzoic acid
| Molecular Formula | C9H10N2O2S |
|---|---|
| Molecular Weight | 210.05 g/mol |
| LogP | 1.301 |
| Topological Polar Surface Area | 61.36 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 210.0463 |
| Heavy Atoms | 14 |
| Complexity | 365.5845 |
Chemical Identifiers
| CAS Number | 36639-87-9 |
|---|---|
| SMILES | CNC(=S)NC1=CC=CC(=C1)C(=O)O |
Product Overview
Benzoic acid, 3-[[(methylamino)thioxomethyl]amino]- (CAS 36639-87-9), with molecular formula C9H10N2O2S and molecular weight 210.05 g/mol. IUPAC: 3-(methylcarbamothioylamino)benzoic acid.
Chemical Property Profile of Benzoic acid, 3-[[(methylamino)thioxomethyl]amino]-
Property Insights of Benzoic acid, 3-[[(methylamino)thioxomethyl]amino]-
The XLogP value of 1.301 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3-[[(methylamino)thioxomethyl]amino]-. The TPSA of 61.36 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3-[[(methylamino)thioxomethyl]amino]-. Following Lipinski's Rule of Five, Benzoic acid, 3-[[(methylamino)thioxomethyl]amino]- has 3 hydrogen bond donor(s) and 2 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 Benzoic acid, 3-[[(methylamino)thioxomethyl]amino]-?
The CAS number of Benzoic acid, 3-[[(methylamino)thioxomethyl]amino]- is 36639-87-9.
What is the molecular formula of Benzoic acid, 3-[[(methylamino)thioxomethyl]amino]-?
The molecular formula of Benzoic acid, 3-[[(methylamino)thioxomethyl]amino]- is C9H10N2O2S.
What is the molecular weight of Benzoic acid, 3-[[(methylamino)thioxomethyl]amino]-?
The molecular weight of Benzoic acid, 3-[[(methylamino)thioxomethyl]amino]- is 210.05 g/mol.
Where can I buy Benzoic acid, 3-[[(methylamino)thioxomethyl]amino]-?
You can request a quote for Benzoic acid, 3-[[(methylamino)thioxomethyl]amino]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3-[[(methylamino)thioxomethyl]amino]-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-[[(methylamino)thioxomethyl]amino]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.