Basic information
- CAS
135812-34-9- Standard SMILES
CC(C)OC(=O)c1cc(NC(=S)OC(C)C)ccc1Cl- InChIKey
AXTNFJKQZPETJA-UHFFFAOYSA-N- Molecular formula
- C14H18ClNO3S
- Average molar mass
- 315.8 g/mol
- Monoisotopic mass
- 315.0695923
Names & identifiers
- Preferred name
- UC-38
- IUPAC
- propan-2-yl 2-chloro-5-(propan-2-yloxycarbothioylamino)benzoate
Names & synonyms
UC-38135812-34-9RefChem:433634Uniroyal JRUC38NSC-6292431-methyl ethyl 2-chloro-5-[[[(1-methylethoxy)thiooxo]methyl]amino]-benzoateNSC 629243UC 38NSC629243Isopropyl 2-chloro-5-((isopropoxycarbonothioyl)amino)benzoate1-Methylethyl 2-chloro-5-(((1-methylethoxy)thioxomethyl)amino)benzoate
Show more names
Uniroyl JRUniroyal Jr.CCRIS 94141-Methylethyl 2-chloro-5-[[(1-methylethoxy)thioxomethyl]amino]benzoateNSC-D 629243CHEMBL440510orb3173804SCHEMBL9198195
Database identifiers
- CAS
135812-34-9- PubChem CID
- 3000477
- DTXSID
DTXSID00159542- ChEMBL
CHEMBL440510- Nikkaji
- J554.607I
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 79.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 349
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Related reactions
2 records
Compound notes
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