Text Search
Structure Search

4-nitrothiophene-2-carbonitrile

4-nitrothiophene-2-carbonitrile

CAS: 42137-24-6

Formula: C5H2N2O2S

SMILES: [O-][N+](=O)C1=CSC(=C1)C#N

IUPAC: 4-nitrothiophene-2-carbonitrile

InChI: InChI=1S/C5H2N2O2S/c6-2-5-1-4(3-10-5)7(8)9/h1,3H

Composition: C (38.96%), H (1.31%), N (18.17%), O (20.76%), S (20.80%)

Molar Mass: 154.14

Atom Count: 12

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 153.983698486
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey GXABDNAYUIKCPQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 34.99
Topological Polar Surface Area 66.93
Polarizability 12.89
Ring Count 1
Rotatable Bond Count 1

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
Molecule Market Select
Purity LeadTime CAS UnitPrice
98% <10 Days 42137-24-6 Quote Only
Request Quote
Chemcia Scientific, LLC
Supplier Profile
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 42137-24-6 $201.25-$948.75$201.25$287.50$948.75
Request Quote