1-Methyl-3-[(2-oxoindol-3-yl)amino]thiourea
Basic information
- CAS
51449-14-0- Standard SMILES
CNC(=S)N=Nc1c(O)[nH]c2ccccc12- InChIKey
LFMQSJKXWOAPPJ-UHFFFAOYSA-N- Molecular formula
- C10H10N4OS
- Average molar mass
- 234.28 g/mol
- Monoisotopic mass
- 234.05753213
Names & identifiers
- Preferred name
- 1-Methyl-3-[(2-oxoindol-3-yl)amino]thiourea
- IUPAC
- 1-[(2-hydroxy-1H-indol-3-yl)imino]-3-methylthiourea
Names & synonyms
1-methyl-3-[(2-oxoindol-3-yl)amino]thiourea51449-14-0MLS0007046091H-indole-2,3-dione 3-(N-methylthiosemicarbazone)SMR0002307611-methyl-3-[(Z)-(2-oxoindolin-3-ylidene)amino]thioureaNSC3113321-[(2-hydroxy-1H-indol-3-yl)imino]-3-methylthioureaCHEMBL1516918CHEMBL1762603SCHEMBL10084818BDBM43269
Show more names
cid_5384178DTXSID30419500HMS2538O07STK372203AKOS005446560AKOS024343109NSC-311332DS-000430
Database identifiers
- CAS
51449-14-0- PubChem CID
- 823528
- DTXSID
DTXSID30419500- ChEMBL
CHEMBL1516918、CHEMBL1762603- Nikkaji
- J632.044I
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 297
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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