(2R)-2-methyloxane-2-thiol

C6H12OS — CID 177047771

IUPAC(2R)-2-methyloxane-2-thiol
SMILESC[C@@]1(S)CCCCO1
InChIInChI=1S/C6H12OS/c1-6(8)4-2-3-5-7-6/h8H,2-5H2,1H3/t6-/m1/s1
InChIKeyPXOOWVGESDFHRC-ZCFIWIBFSA-N
MW132.23 g/mol
LogP1.83
Rot. Bonds

About (2R)-2-methyloxane-2-thiol

(2R)-2-methyloxane-2-thiol (PubChem CID 177047771) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is (2R)-2-methyloxane-2-thiol.

Molecular Properties

Compound Name(2R)-2-methyloxane-2-thiol
PubChem CID177047771
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name(2R)-2-methyloxane-2-thiol
SMILESC[C@@]1(S)CCCCO1
InChIInChI=1S/C6H12OS/c1-6(8)4-2-3-5-7-6/h8H,2-5H2,1H3/t6-/m1/s1
InChIKeyPXOOWVGESDFHRC-ZCFIWIBFSA-N
XLogP1.83
TPSA9.23 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 ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-dimethylsilyloxane-2-thiol
CID 123513196
2,2-dimethyloxane;methanamine
CID 144836185
3,3-dimethyl-oxacyclotetradecane
CID 15424844
1,1,7,7-tetramethylcyclopentadecane
CID 123360096
1,1-dimethylcyclononane
CID 59289773
(2R)-2-iodo-2-methyloxolane
CID 139354420
2-aminosilyl-2-methyloxane
CID 123466383
1,1-dimethylcyclohexane;methane
CID 160770296
azane;1,1-dimethylcyclohexane
CID 90411117
trimethoxy-(2-methyloxan-2-yl)silane
CID 174779406
1,4-dioxaspiro[4.5]decane;ethane
CID 143191896
carbanide;cyclopentane;1,1-dimethylcyclohexane;zirconium(2+)
CID 162284828

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyloxane-2-thiol?
The IUPAC name of (2R)-2-methyloxane-2-thiol (CID 177047771) is (2R)-2-methyloxane-2-thiol.
What is the SMILES notation for (2R)-2-methyloxane-2-thiol?
The canonical SMILES for (2R)-2-methyloxane-2-thiol is C[C@@]1(S)CCCCO1.
What is the InChIKey of (2R)-2-methyloxane-2-thiol?
The InChIKey is PXOOWVGESDFHRC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H12OS/c1-6(8)4-2-3-5-7-6/h8H,2-5H2,1H3/t6-/m1/s1.
What are the key properties of (2R)-2-methyloxane-2-thiol?
(2R)-2-methyloxane-2-thiol has a molecular weight of 132.23 g/mol, XLogP of 1.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyloxane-2-thiol is sourced from PubChem (CID 177047771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).