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100602-16-2 | Butanol, mercapto-
CAS No: 100602-16-2 Catalog No: AG0002GK MDL No:
Product Description
Catalog Number:
AG0002GK
Chemical Name:
Butanol, mercapto-
CAS Number:
100602-16-2
Molecular Formula:
C4H10OS
Molecular Weight:
106.1866
IUPAC Name:
1-sulfanylbutan-1-ol
InChI:
InChI=1S/C4H10OS/c1-2-3-4(5)6/h4-6H,2-3H2,1H3
InChI Key:
HKNNAYPWWDWHFR-UHFFFAOYSA-N
SMILES:
CCCC(S)O
Properties
Complexity:
30.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
106.045g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
106.183g/mol
Monoisotopic Mass:
106.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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