Basic information
- CAS
68241-04-3- Standard SMILES
Cc1nc2c(Cl)cc(Cl)cc2c(=O)n1CC(=O)NNC(N)=S- InChIKey
KYQGAIHWYSKMKE-UHFFFAOYSA-N- Molecular formula
- C12H11Cl2N5O2S
- Average molar mass
- 360.2 g/mol
- Monoisotopic mass
- 359.0010512
Names & identifiers
- Preferred name
- 2-(2-(6,8-Dichloro-2-methyl-4-oxoquinazolin-3(4H)-yl)acetyl)hydrazinecarbothioamide
- IUPAC
- [[2-(6,8-dichloro-2-methyl-4-oxoquinazolin-3-yl)acetyl]amino]thiourea
- English name
- [[2-(6,8-dichloro-2-methyl-4-oxo-quinazolin-3-yl)acetyl]amino]thiourea
- Molecular formula
- C12H11Cl2N5O2S
- Molecular weight
- 360.22
Names & synonyms
68241-04-32-(2-(6,8-Dichloro-2-methyl-4-oxoquinazolin-3(4H)-yl)acetyl)hydrazinecarbothioamideN-(carbamothioylamino)-2-(6,8-dichloro-2-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)acetamideNSC317050DTXSID50404357NSC-3170502-[(6,8-Dichloro-2-methyl-4-oxoquinazolin-3(4H)-yl)acetyl]hydrazine-1-carbothioamide[[2-(6,8-dichloro-2-methyl-4-oxo-quinazolin-3-yl)acetyl]amino]thiourea3(4H)-Quinazolineacetic acid, 6,8-dichloro-2-methyl-4-oxo-, 2-(aminothioxomethyl)hydrazide
Database identifiers
- CAS
68241-04-3- PubChem CID
- 4569488
- DTXSID
DTXSID50404357
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 530
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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