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162212-62-6 | 1-Butene, 2-(chloromethyl)-1,1-bis(methylthio)-
CAS No: 162212-62-6 Catalog No: AG001SWJ MDL No:
Product Description
Catalog Number:
AG001SWJ
Chemical Name:
1-Butene, 2-(chloromethyl)-1,1-bis(methylthio)-
CAS Number:
162212-62-6
Molecular Formula:
C7H13ClS2
Molecular Weight:
196.7611
IUPAC Name:
2-(chloromethyl)-1,1-bis(methylsulfanyl)but-1-ene
InChI:
InChI=1S/C7H13ClS2/c1-4-6(5-8)7(9-2)10-3/h4-5H2,1-3H3
InChI Key:
DIZBKUYSQVKLRJ-UHFFFAOYSA-N
SMILES:
CCC(=C(SC)SC)CCl
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.015g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.751g/mol
Monoisotopic Mass:
196.015g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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