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101384-19-4 | Benzene, [(2-chloro-2,3-dimethyl-3-buten-1-yl)thio]-
CAS No: 101384-19-4 Catalog No: AG0004CP MDL No:
Product Description
Catalog Number:
AG0004CP
Chemical Name:
Benzene, [(2-chloro-2,3-dimethyl-3-buten-1-yl)thio]-
CAS Number:
101384-19-4
Molecular Formula:
C12H15ClS
Molecular Weight:
226.7655
IUPAC Name:
(2-chloro-2,3-dimethylbut-3-enyl)sulfanylbenzene
InChI:
InChI=1S/C12H15ClS/c1-10(2)12(3,13)9-14-11-7-5-4-6-8-11/h4-8H,1,9H2,2-3H3
InChI Key:
GUIIFVVHIAIDAV-UHFFFAOYSA-N
SMILES:
CC(=C)C(CSc1ccccc1)(Cl)C
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.762g/mol
Monoisotopic Mass:
226.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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