Home Nitriles 2-Thiophenecarbonitrile, 5-(methylthio)-

2-Thiophenecarbonitrile, 5-(methylthio)-

CAS No.:
175205-78-4
Catalog Number:
AG0020PP
Molecular Formula:
C6H5NS2
Molecular Weight:
155.2406
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Product Description
Catalog Number:
AG0020PP
Chemical Name:
2-Thiophenecarbonitrile, 5-(methylthio)-
CAS Number:
175205-78-4
Molecular Formula:
C6H5NS2
Molecular Weight:
155.2406
MDL Number:
MFCD00173741
IUPAC Name:
5-methylsulfanylthiophene-2-carbonitrile
InChI:
InChI=1S/C6H5NS2/c1-8-6-3-2-5(4-7)9-6/h2-3H,1H3
InChI Key:
BPVUDMPPURTXDX-UHFFFAOYSA-N
SMILES:
CSc1ccc(s1)C#N
Properties
Complexity:
137  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.986g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.233g/mol
Monoisotopic Mass:
154.986g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
77.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties