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124570-49-6 | 3-Buten-2-ol, 1-mercapto-
CAS No: 124570-49-6 Catalog No: AG000ME5 MDL No:
Product Description
Catalog Number:
AG000ME5
Chemical Name:
3-Buten-2-ol, 1-mercapto-
CAS Number:
124570-49-6
Molecular Formula:
C4H8OS
Molecular Weight:
104.1707
IUPAC Name:
1-sulfanylbut-3-en-2-ol
InChI:
InChI=1S/C4H8OS/c1-2-4(5)3-6/h2,4-6H,1,3H2
InChI Key:
HWMSONDFGJRGRN-UHFFFAOYSA-N
SMILES:
OC(C=C)CS
Properties
Complexity:
44.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
104.03g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
104.167g/mol
Monoisotopic Mass:
104.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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