Home Other Building Blocks thian-3-ylmethanol

thian-3-ylmethanol

CAS No.:
1195351-86-0
Catalog Number:
AG01BFBO
Molecular Formula:
C6H12OS
Molecular Weight:
132.2239
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Product Description
Catalog Number:
AG01BFBO
Chemical Name:
thian-3-ylmethanol
CAS Number:
1195351-86-0
Molecular Formula:
C6H12OS
Molecular Weight:
132.2239
MDL Number:
MFCD22071338
IUPAC Name:
thian-3-ylmethanol
InChI:
InChI=1S/C6H12OS/c7-4-6-2-1-3-8-5-6/h6-7H,1-5H2
InChI Key:
ZQWJQNSOLHKOGY-UHFFFAOYSA-N
SMILES:
OCC1CCCSC1
Properties
Complexity:
65.5  
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties