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S-(4-methylpyrimidin-2-yl)thiohydroxylamine

HCID 178764593
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Basic information

CAS
3993-59-7
Standard SMILES
Cc1ccnc(SN)n1
InChIKey
XBHAFWSEKMLPTH-UHFFFAOYSA-N
Molecular formula
C5H7N3S
Average molar mass
141.2 g/mol

Names & identifiers

Preferred name
S-(4-methylpyrimidin-2-yl)thiohydroxylamine
IUPAC
S-(4-methylpyrimidin-2-yl)thiohydroxylamine
English name
2-Pyrimidinesulfenamide, 4-methyl- (7CI,8CI)
Molecular formula
C5H7N3S
Molecular weight
141.19

Names & synonyms

SCHEMBL283005932-Pyrimidinesulfenamide, 4-methyl-2-Pyrimidinesulfenamide, 4-methyl- (7CI,8CI)

Database identifiers

CAS
3993-59-7

Properties

Computed structural properties

XLogP
0.3
Topological polar surface area
77.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
9
Formal charge
0
Complexity
88.3

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