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126823-30-1 | Butane, 1-[(2-chloroethyl)thio]-3-methyl-
CAS No: 126823-30-1 Catalog No: AG000T9R MDL No:
Product Description
Catalog Number:
AG000T9R
Chemical Name:
Butane, 1-[(2-chloroethyl)thio]-3-methyl-
CAS Number:
126823-30-1
Molecular Formula:
C7H15ClS
Molecular Weight:
166.7120
IUPAC Name:
1-(2-chloroethylsulfanyl)-3-methylbutane
InChI:
InChI=1S/C7H15ClS/c1-7(2)3-5-9-6-4-8/h7H,3-6H2,1-2H3
InChI Key:
QVORVXJRTWLNDC-UHFFFAOYSA-N
SMILES:
ClCCSCCC(C)C
Properties
Complexity:
54.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.058g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.707g/mol
Monoisotopic Mass:
166.058g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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