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101670-64-8

101670-64-8 | 1-Propene, 3-chloro-3-isothiocyanato-

CAS No: 101670-64-8 Catalog No: AG00054V MDL No:

Product Description

Catalog Number:
AG00054V
Chemical Name:
1-Propene, 3-chloro-3-isothiocyanato-
CAS Number:
101670-64-8
Molecular Formula:
C4H4ClNS
Molecular Weight:
133.5993
IUPAC Name:
3-chloro-3-isothiocyanatoprop-1-ene
InChI:
InChI=1S/C4H4ClNS/c1-2-4(5)6-3-7/h2,4H,1H2
InChI Key:
IBJTXFMZFGUXGV-UHFFFAOYSA-N
SMILES:
ClC(N=C=S)C=C

Properties

Complexity:
106  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.975g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
133.593g/mol
Monoisotopic Mass:
132.975g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

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