6-[(3,4-Dichlorophenyl)sulfanyl]quinazoline-2,4-diamine

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Basic information

CAS: 51124-31-3
Standard SMILES: Nc1nc(N)c2cc(Sc3ccc(Cl)c(Cl)c3)ccc2n1
InChIKey: QNNPAYVFMMNZIX-UHFFFAOYSA-N
Molecular formula: C14H10Cl2N4S
Average molar mass: 337.2 g/mol
Monoisotopic mass: 336.0003229

Names & identifiers

Preferred name: 6-[(3,4-Dichlorophenyl)sulfanyl]quinazoline-2,4-diamine
IUPAC: 6-(3,4-dichlorophenyl)sulfanylquinazoline-2,4-diamine

Names & synonyms

CHEMBL687751124-31-3SCHEMBL83863166-[(3,4-Dichlorophenyl)sulfanyl]quinazoline-2,4-diamineDTXSID10658076QNNPAYVFMMNZIX-UHFFFAOYSA-NBDBM504046772,4-diamino-6-(3,4-dichlorophenylthio)quinazoline

Database identifiers

CAS: 51124-31-3
PubChem CID: 44264142
DTXSID: DTXSID10658076
ChEMBL: CHEMBL6877

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 103 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 21
Formal charge: 0
Complexity: 362

Related reactions

4 records

New reaction record

HRID 52632As reactantuspto-grants-1997_04

HRID 363766As reactantuspto-grants-1999_02

HRID 813039As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1734594As reactantuspto-grants-1996_07

Compound notes

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