Home Other Building Blocks 1-Propene, 3-(propylthio)-

1-Propene, 3-(propylthio)-

CAS No.:
27817-67-0
Catalog Number:
AG002UUC
Molecular Formula:
C6H12S
Molecular Weight:
116.2245
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Product Description
Catalog Number:
AG002UUC
Chemical Name:
1-Propene, 3-(propylthio)-
CAS Number:
27817-67-0
Molecular Formula:
C6H12S
Molecular Weight:
116.2245
MDL Number:
MFCD00015220
IUPAC Name:
1-prop-2-enylsulfanylpropane
InChI:
InChI=1S/C6H12S/c1-3-5-7-6-4-2/h3H,1,4-6H2,2H3
InChI Key:
JMLIYQJQKZYHDQ-UHFFFAOYSA-N
SMILES:
CCCSCC=C
EC Number:
248-673-1
UNII:
6038AN0CTJ
NSC Number:
164926
Properties
Complexity:
41.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.066g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
116.222g/mol
Monoisotopic Mass:
116.066g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
Screening of organosulfur compounds as inhibitors of human CYP2A6. Drug metabolism and disposition: the biological fate of chemicals 20010701
Properties