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5-acetyl-4-amino-2-(methylsulfanyl)thiophene-3-carbonitrile

5-acetyl-4-amino-2-(methylsulfanyl)thiophene-3-carbonitrile

CAS: 116171-01-8

Formula: C8H8N2OS2

SMILES: CSC1=C(C#N)C(N)=C(S1)C(C)=O

IUPAC: 5-acetyl-4-amino-2-(methylsulfanyl)thiophene-3-carbonitrile

InChI: InChI=1S/C8H8N2OS2/c1-4(11)7-6(10)5(3-9)8(12-2)13-7/h10H2,1-2H3

Composition: C (45.26%), H (3.80%), N (13.20%), O (7.54%), S (30.20%)

Molar Mass: 212.29

Atom Count: 21

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 212.007805234
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey LXFAMKKOJROSOB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.69
Topological Polar Surface Area 66.88
Polarizability 20.64
Ring Count 1
Rotatable Bond Count 2

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