C1=CSC(=C1)CC#N
CAS: 20893-30-5
Nombre: 2-thiophen-2-ylacetonitrile
SMILES: C1=CSC(=C1)CC#N

Molecular Processing

Molecular formula
C6H5NS
Molecular weight
123.18
Exact mass
123.0143
XLogP
1.81
TPSA
23.79
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
8
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
33.64

Supplementary Information

InChIKey: CLSHQIDDCJTHAJ-UHFFFAOYSA-N
Sinónimos
2-Thiopheneacetonitrile20893-30-52-ThienylacetonitrileThiophene-2-acetonitrile2-(Cyanomethyl)thiophene2-cyanomethylthiophenethiophen-2-yl-acetonitrileDTXSID5066663CHEBI:27382EINECS 244-104-6AI3-08540EC 244-104-6RefChem:483737DTXCID5036395244-104-62-(Thiophen-2-yl)acetonitrile2-thiophen-2-ylacetonitrileThien-2-ylacetonitrileMFCD000054532-(2-thienyl)ethanenitrile2-(2-thienyl)acetonitrile(Thien-2-yl)acetonitrile2-thienyl acetonitrilethiophen-2-acetonitrilethiophen-2-ylacetonitrileC03311(Thiophen-2-yl)acetonitrileSCHEMBL37659BIDD:GT00612-Thiopheneacetonitrile, 97%
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