Completing data — usually done within a minute
Basic information
- CAS
20174-30-5- Standard SMILES
Cc1ccccc1NNC(N)=S- InChIKey
YRABENKRWXQGMK-UHFFFAOYSA-N- Molecular formula
- C8H11N3S
- Average molar mass
- 181.26 g/mol
- Monoisotopic mass
- 181.06736854
Names & identifiers
- Preferred name
- o-Tolyl thiosemicarbazide
- IUPAC
- (2-methylanilino)thiourea
Names & synonyms
RefChem:1093717o-Tolyl thiosemicarbazide(2-methylanilino)thiourea[(2-methylphenyl)amino]thiourea20174-30-52-(2-methylphenyl)-1-hydrazinecarbothioamide2-(O-tolyl)hydrazine-1-carbothioamide2-(2-methylphenyl)hydrazinecarbothioamideNSC 97210TolylthiosemicarbazidBRN 0880437TJL5NN57RF
Show more names
MLS000764026CHEMBL1353091SCHEMBL117505481-(o-Tolyl)-3-ThiosemicarbazideCHEBI:108936YRABENKRWXQGMK-UHFFFAOYSA-NHMS2711H10Semicarbazide, 3-thio-1-o-tolyl-
Database identifiers
- CAS
20174-30-5、614-10-8- PubChem CID
- 1490896
- ChEMBL
CHEMBL1353091- ChEBI
CHEBI:108936- UNII
- TJL5NN57RF
- Nikkaji
- J134.602D
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 82.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 160
Experimental & physicochemical properties
Solubility20 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
3 records
Compound notes
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