Home Halogens [(4-chlorobut-2-yn-1-yl)sulfanyl]carbonitrile

[(4-chlorobut-2-yn-1-yl)sulfanyl]carbonitrile

CAS No.:
113079-33-7
Catalog Number:
AG01DYFJ
Molecular Formula:
C5H4ClNS
Molecular Weight:
145.6100
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Product Description
Catalog Number:
AG01DYFJ
Chemical Name:
[(4-chlorobut-2-yn-1-yl)sulfanyl]carbonitrile
CAS Number:
113079-33-7
Molecular Formula:
C5H4ClNS
Molecular Weight:
145.6100
MDL Number:
MFCD19233952
IUPAC Name:
4-chlorobut-2-ynyl thiocyanate
InChI:
InChI=1S/C5H4ClNS/c6-3-1-2-4-8-5-7/h3-4H2
InChI Key:
SIVMBZMEIODFSN-UHFFFAOYSA-N
SMILES:
ClCC#CCSC#N
Properties
Complexity:
155  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.975g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
145.604g/mol
Monoisotopic Mass:
144.975g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties