3-anilino-2-mercaptoquinazolin-4(3H)-one

HCID 976533

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Basic information

CAS: 5958-14-5
Standard SMILES: O=c1c2ccccc2[nH]c(=S)n1Nc1ccccc1
InChIKey: KJWKTRKFHNLVFD-UHFFFAOYSA-N
Molecular formula: C14H11N3OS
Average molar mass: 269.32 g/mol
Monoisotopic mass: 269.06228316

Names & identifiers

Preferred name: 3-anilino-2-mercaptoquinazolin-4(3H)-one
IUPAC: 3-anilino-2-sulfanylidene-1H-quinazolin-4-one
English name: 2-Mercapto-3-phenylamino-3H-quinazolin-4-one
Molecular formula: C14H11N3OS
Molecular weight: 269.32

Names & synonyms

5958-14-53-anilino-2-mercaptoquinazolin-4(3H)-oneDTXSID00359621RefChem:276696DTXCID803106742-Mercapto-3-(phenylamino)quinazolin-4(3H)-one2-Mercapto-3-phenylamino-3H-quinazolin-4-one3-anilino-2-sulfanylidene-1H-quinazolin-4-one3-(phenylamino)-2-sulfanyl-3,4-dihydroquinazolin-4-one3-(Phenylamino)-2-thioxo-2,3-dihydroquinazolin-4(1h)-one3-(phenylamino)-2-sulfanyl-3-hydroquinazolin-4-one3-anilino-2-sulfanyl-quinazolin-4-one

Show more names

AKOS B020726ART-CHEM-BB B0207264(1H)-Quinazolinone, 2,3-dihydro-3-(phenylamino)-2-thioxo-

HMS1591I10FAA95814MFCD04217094SBB022153STK298888AKOS0003102853-anilino-2-thioxo-1H-quinazolin-4-one3-anilino-2-sulfanylquinazolin-4(3H)-one

Database identifiers

CAS: 5958-14-5
PubChem CID: 976533
DTXSID: DTXSID00359621

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 76.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 19
Formal charge: 0
Complexity: 368

Chemistry & industry

Upstream & downstream products

Upstream raw materials

2-Amino-N'-phenylbenzohydrazide Carbon disulfide

Suppliers1 total

北京百灵威科技有限公司18210857532 18210857532 · [email protected]

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