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88916-04-5 | 1,5-Hexadiene, 4,4-dimethyl-1-[(1-methylethyl)thio]-
CAS No: 88916-04-5 Catalog No: AG0048YV MDL No:
Product Description
Catalog Number:
AG0048YV
Chemical Name:
1,5-Hexadiene, 4,4-dimethyl-1-[(1-methylethyl)thio]-
CAS Number:
88916-04-5
Molecular Formula:
C11H20S
Molecular Weight:
184.3415
IUPAC Name:
4,4-dimethyl-1-propan-2-ylsulfanylhexa-1,5-diene
InChI:
InChI=1S/C11H20S/c1-6-11(4,5)8-7-9-12-10(2)3/h6-7,9-10H,1,8H2,2-5H3
InChI Key:
NOSLEPFITDLBKI-UHFFFAOYSA-N
SMILES:
C=CC(CC=CSC(C)C)(C)C
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.129g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.341g/mol
Monoisotopic Mass:
184.129g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.3
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