CC(C)C(=S)N
CAS: 13515-65-6
Name: 2-methylpropanethioamide
SMILES: CC(C)C(=S)N

Molecular Processing

Molecular formula
C4H9NS
Molecular weight
103.19
Exact mass
103.0456
XLogP
0.93
TPSA
26.02
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
6
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
31.62

Supplementary Information

InChIKey: NPCLRBQYESMUPD-UHFFFAOYSA-N
Synonyme
2-methylpropanethioamide13515-65-6DTXSID10447922RefChem:263950DTXCID10398743815-748-0ThioisobutyramideMFCD07369538ISOBUTYRTHIOAMIDEIsopropyl Thioamide2-methylpropaneothioamide2-methylpropane-thioamideSCHEMBL442109SCHEMBL8307401SCHEMBL10331901NPCLRBQYESMUPD-UHFFFAOYSA-NALBB-031241AKOS000149014AB32169CS-W011304SY058938DB-063069EN300-40823F217594Propanethioamide, 2-methyl-; Propionamide, 2-methylthio- (6CI,7CI,8CI); 2-Methylpropanethioamide; 2-Methylthiopropionamide; Isobutyrthioamide; Thioisobutyramide
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