(3S,6R)-6-methylthian-3-ol

C6H12OS — CID 124500554

IUPAC(3S,6R)-6-methylthian-3-ol
SMILESC[C@@H]1CC[C@H](O)CS1
InChIInChI=1S/C6H12OS/c1-5-2-3-6(7)4-8-5/h5-7H,2-4H2,1H3/t5-,6+/m1/s1
InChIKeyWGYQFKTWCXEETG-RITPCOANSA-N
MW132.23 g/mol
LogP1.26
Rot. Bonds

About (3S,6R)-6-methylthian-3-ol

(3S,6R)-6-methylthian-3-ol (PubChem CID 124500554) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is (3S,6R)-6-methylthian-3-ol.

Molecular Properties

Compound Name(3S,6R)-6-methylthian-3-ol
PubChem CID124500554
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name(3S,6R)-6-methylthian-3-ol
SMILESC[C@@H]1CC[C@H](O)CS1
InChIInChI=1S/C6H12OS/c1-5-2-3-6(7)4-8-5/h5-7H,2-4H2,1H3/t5-,6+/m1/s1
InChIKeyWGYQFKTWCXEETG-RITPCOANSA-N
XLogP1.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methoxythian-3-ol
CID 135226952
(2S,5S)-2,5-dimethylthiane
CID 71394536
5-bromo-2-methylthiane
CID 119030332
2-methylthiirane;thiirane
CID 22367971
3,7-dimethyl-1,4-thiazepane
CID 66226495
4-methylcyclohexan-1-ol
CID 11524
cyclohexane-1,4-diol
CID 11162
trans-(1S,4S)-4-methylcyclohexane-1,3-diol
CID 142273228
trans-(1S,2S)-2-[(5-methylthiolan-3-yl)amino]cyclohexan-1-ol
CID 131223427
N-methyl-N-(6-methylthian-3-yl)sulfamoyl chloride
CID 164647991
cyclohexane-1,4-diol;hydrochloride
CID 141062883
(3S,4R)-4-methylthiolan-3-ol
CID 10374449

Frequently Asked Questions

What is the IUPAC name of (3S,6R)-6-methylthian-3-ol?
The IUPAC name of (3S,6R)-6-methylthian-3-ol (CID 124500554) is (3S,6R)-6-methylthian-3-ol.
What is the SMILES notation for (3S,6R)-6-methylthian-3-ol?
The canonical SMILES for (3S,6R)-6-methylthian-3-ol is C[C@@H]1CC[C@H](O)CS1.
What is the InChIKey of (3S,6R)-6-methylthian-3-ol?
The InChIKey is WGYQFKTWCXEETG-RITPCOANSA-N. The full InChI is InChI=1S/C6H12OS/c1-5-2-3-6(7)4-8-5/h5-7H,2-4H2,1H3/t5-,6+/m1/s1.
What are the key properties of (3S,6R)-6-methylthian-3-ol?
(3S,6R)-6-methylthian-3-ol has a molecular weight of 132.23 g/mol, XLogP of 1.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-6-methylthian-3-ol is sourced from PubChem (CID 124500554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).