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100277-27-8 | (Tetrahydro-2H-thiopyran-4-yl);methanol
CAS No: 100277-27-8 Catalog No: AG0001GD MDL No:MFCD09966150
Product Description
Catalog Number:
AG0001GD
Chemical Name:
(Tetrahydro-2H-thiopyran-4-yl);methanol
CAS Number:
100277-27-8
Molecular Formula:
C6H12OS
Molecular Weight:
132.2239
MDL Number:
MFCD09966150
IUPAC Name:
thian-4-ylmethanol
InChI:
InChI=1S/C6H12OS/c7-5-6-1-3-8-4-2-6/h6-7H,1-5H2
InChI Key:
LMVCLDAMMNHILO-UHFFFAOYSA-N
SMILES:
OCC1CCSCC1
Properties
Complexity:
59.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.061g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
132.221g/mol
Monoisotopic Mass:
132.061g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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