Home Halogens 1-Propene,2-chloro-3-isothiocyanato-

1-Propene,2-chloro-3-isothiocyanato-

CAS No.:
14214-31-4
Catalog Number:
AG007K6U
Molecular Formula:
C4H4ClNS
Molecular Weight:
133.5993
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Product Description
Catalog Number:
AG007K6U
Chemical Name:
1-Propene,2-chloro-3-isothiocyanato-
CAS Number:
14214-31-4
Molecular Formula:
C4H4ClNS
Molecular Weight:
133.5993
MDL Number:
MFCD01716868
IUPAC Name:
2-chloro-3-isothiocyanatoprop-1-ene
InChI:
InChI=1S/C4H4ClNS/c1-4(5)2-6-3-7/h1-2H2
InChI Key:
DGBFPSVUFUDQNA-UHFFFAOYSA-N
SMILES:
ClC(=C)CN=C=S
EC Number:
604-275-3
Properties
Complexity:
115  
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties