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27832-57-1 | 3-Thietanol, 3-methyl-
CAS No: 27832-57-1 Catalog No: AG002UW7 MDL No:
Product Description
Catalog Number:
AG002UW7
Chemical Name:
3-Thietanol, 3-methyl-
CAS Number:
27832-57-1
Molecular Formula:
C4H8OS
Molecular Weight:
104.1707
IUPAC Name:
3-methylthietan-3-ol
InChI:
InChI=1S/C4H8OS/c1-4(5)2-6-3-4/h5H,2-3H2,1H3
InChI Key:
LJUDUAPODPCRRJ-UHFFFAOYSA-N
SMILES:
CC1(O)CSC1
Properties
Complexity:
58.6
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:
1
Isotope Atom Count:
0
Molecular Weight:
104.167g/mol
Monoisotopic Mass:
104.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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