CC1=CC=C(S1)C#N
CAS: 72835-25-7
Name: 5-methylthiophene-2-carbonitrile
SMILES: CC1=CC=C(S1)C#N

Molecular Processing

Molecular formula
C6H5NS
Molecular weight
123.18
Exact mass
123.0143
XLogP
1.93
TPSA
23.79
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
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
33.77

Supplementary Information

InChIKey: RBQRZWYCXAXPIN-UHFFFAOYSA-N
Synonyme
5-methylthiophene-2-carbonitrileDTXSID30310260RefChem:537352DTXCID50261386816-386-672835-25-72-Thiophenecarbonitrile, 5-methyl-MFCD014343345-methyl-2-thiophenecarbonitrile2-CYANO-5-METHYLTHIOPHENENSC-2233862-Thiophenecarbonitrile,5-methyl-NSC22338673AV9JBZ5MSCHEMBL131099SCHEMBL131100orb3029959SCHEMBL30699125-CYANO-2-METHYLTHIOPHENE5-methyl-thiophene-2-carbonitrileRBQRZWYCXAXPIN-UHFFFAOYSA-NFr14557XCA83525GEO-01953AKOS004120165DS-5869PB12235SY106743DB-074632CS-0050425
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