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2-methyl-1,3-thiazole-4-carbonitrile

2-methyl-1,3-thiazole-4-carbonitrile

CAS: 21917-76-0

Formula: C5H4N2S

SMILES: CC1=NC(=CS1)C#N

IUPAC: 2-methyl-1,3-thiazole-4-carbonitrile

InChI: InChI=1S/C5H4N2S/c1-4-7-5(2-6)3-8-4/h3H,1H3

Composition: C (48.37%), H (3.25%), N (22.56%), S (25.82%)

Molar Mass: 124.16

Atom Count: 12

Heavy Atom Count: 8

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 124.009519311
Formal Charge 0
FSP3 0.2
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey YYRJTQRYMNMUCR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 31.06
Topological Polar Surface Area 36.68
Polarizability 11.74
Ring Count 1
Rotatable Bond Count 0

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