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10004-53-2 | 2-Propenenitrile, 3-(methylthio)-
CAS No: 10004-53-2 Catalog No: AG0000N4 MDL No:
Product Description
Catalog Number:
AG0000N4
Chemical Name:
2-Propenenitrile, 3-(methylthio)-
CAS Number:
10004-53-2
Molecular Formula:
C4H5NS
Molecular Weight:
99.1542
IUPAC Name:
3-methylsulfanylprop-2-enenitrile
InChI:
InChI=1S/C4H5NS/c1-6-4-2-3-5/h2,4H,1H3
InChI Key:
GNVLNNDBASMVSQ-UHFFFAOYSA-N
SMILES:
CSC=CC#N
Properties
Complexity:
87
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
99.014g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
99.151g/mol
Monoisotopic Mass:
99.014g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.7
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