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89110-49-6 | 2-Propenenitrile, 3-bromo-2-(ethylthio)-, (E)-
CAS No: 89110-49-6 Catalog No: AG003ZTH MDL No:
Product Description
Catalog Number:
AG003ZTH
Chemical Name:
2-Propenenitrile, 3-bromo-2-(ethylthio)-, (E)-
CAS Number:
89110-49-6
Molecular Formula:
C5H6BrNS
Molecular Weight:
192.0768
IUPAC Name:
3-bromo-2-ethylsulfanylprop-2-enenitrile
InChI:
InChI=1S/C5H6BrNS/c1-2-8-5(3-6)4-7/h3H,2H2,1H3
InChI Key:
UGQUWUKMYIDSEW-UHFFFAOYSA-N
SMILES:
CCS/C(=C/Br)/C#N
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.94g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.074g/mol
Monoisotopic Mass:
190.94g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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