200,000+ products from a single source!
sales@angenechem.com
83759-13-1 | 1-Butene, 1-chloro-3,3-dimethyl-2-(methylthio)-, (E)-
CAS No: 83759-13-1 Catalog No: AG0055XM MDL No:
Product Description
Catalog Number:
AG0055XM
Chemical Name:
1-Butene, 1-chloro-3,3-dimethyl-2-(methylthio)-, (E)-
CAS Number:
83759-13-1
Molecular Formula:
C7H13ClS
Molecular Weight:
164.6961
IUPAC Name:
1-chloro-3,3-dimethyl-2-methylsulfanylbut-1-ene
InChI:
InChI=1S/C7H13ClS/c1-7(2,3)6(5-8)9-4/h5H,1-4H3
InChI Key:
KKCUPAQRGUGUDD-UHFFFAOYSA-N
SMILES:
CS/C(=C/Cl)/C(C)(C)C
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.043g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.691g/mol
Monoisotopic Mass:
164.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.