Acetic acid, ((4-(dimethylamino)-6-methyl-2-pyrimidinyl)thio)-, hydrazide

HCID 53835

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Basic information

CAS: 77940-23-9
Standard SMILES: Cc1cc(N(C)C)nc(SCC(=O)NN)n1
InChIKey: PTHGEWDXMWULBL-UHFFFAOYSA-N
Molecular formula: C9H15N5OS
Average molar mass: 241.32 g/mol
Monoisotopic mass: 241.09973129

Names & identifiers

Preferred name: Acetic acid, ((4-(dimethylamino)-6-methyl-2-pyrimidinyl)thio)-, hydrazide
IUPAC: 2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]sulfanylacetohydrazide

Names & synonyms

BRN 505298577940-23-9ACETIC ACID, ((4-(DIMETHYLAMINO)-6-METHYL-2-PYRIMIDINYL)THIO)-, HYDRAZIDE(4-Dimethylamino-6-methyl-2-pyrimidinylthio)acethydrazideDTXSID50228590((4-(Dimethylamino)-6-methyl-2-pyrimidinyl)thio)acetic acid hydrazideRefChem:315963DTXCID001510812-{[4-(DIMETHYLAMINO)-6-METHYLPYRIMIDIN-2-YL]SULFANYL}ACETOHYDRAZIDE

Database identifiers

CAS: 77940-23-9
PubChem CID: 53835
DTXSID: DTXSID50228590
Nikkaji: J70.990E

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 109 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 238

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