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95915-86-9 | Butane, 1,1'-[(2-methylpropylidene)bis(thio)]bis-
CAS No: 95915-86-9 Catalog No: AG005WJE MDL No:
Product Description
Catalog Number:
AG005WJE
Chemical Name:
Butane, 1,1'-[(2-methylpropylidene)bis(thio)]bis-
CAS Number:
95915-86-9
Molecular Formula:
C12H26S2
Molecular Weight:
234.4648
IUPAC Name:
1,1-bis(butylsulfanyl)-2-methylpropane
InChI:
InChI=1S/C12H26S2/c1-5-7-9-13-12(11(3)4)14-10-8-6-2/h11-12H,5-10H2,1-4H3
InChI Key:
BDUVQJOXKPOURB-UHFFFAOYSA-N
SMILES:
CCCCSC(C(C)C)SCCCC
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.148g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.46g/mol
Monoisotopic Mass:
234.148g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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