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89222-70-8 | 3-Hexene-1-thiol, (Z)-
CAS No: 89222-70-8 Catalog No: AG0044M5 MDL No:
Product Description
Catalog Number:
AG0044M5
Chemical Name:
3-Hexene-1-thiol, (Z)-
CAS Number:
89222-70-8
Molecular Formula:
C6H12S
Molecular Weight:
116.2245
IUPAC Name:
hex-3-ene-1-thiol
InChI:
InChI=1S/C6H12S/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3
InChI Key:
ROLNNHGYLSXDRV-UHFFFAOYSA-N
SMILES:
SCC/C=C\CC
Properties
Complexity:
48.1
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:
1
Isotope Atom Count:
0
Molecular Weight:
116.222g/mol
Monoisotopic Mass:
116.066g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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