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119549-15-4 | Hexane, 1-chloro-6-[(1,1-dimethylethyl)thio]-
CAS No: 119549-15-4 Catalog No: AG000IXK MDL No:
Product Description
Catalog Number:
AG000IXK
Chemical Name:
Hexane, 1-chloro-6-[(1,1-dimethylethyl)thio]-
CAS Number:
119549-15-4
Molecular Formula:
C10H21ClS
Molecular Weight:
208.7917
IUPAC Name:
1-tert-butylsulfanyl-6-chlorohexane
InChI:
InChI=1S/C10H21ClS/c1-10(2,3)12-9-7-5-4-6-8-11/h4-9H2,1-3H3
InChI Key:
PBMSGIAEUSASCE-UHFFFAOYSA-N
SMILES:
ClCCCCCCSC(C)(C)C
Properties
Complexity:
96.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.105g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.788g/mol
Monoisotopic Mass:
208.105g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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