(1R)-1-(thietan-3-yl)propan-1-ol

C6H12OS — CID 96732659

IUPAC(1R)-1-(thietan-3-yl)propan-1-ol
SMILESCC[C@@H](O)C1CSC1
InChIInChI=1S/C6H12OS/c1-2-6(7)5-3-8-4-5/h5-7H,2-4H2,1H3/t6-/m1/s1
InChIKeyOAKRSBHZYGCPEP-ZCFIWIBFSA-N
MW132.23 g/mol
LogP1.12
Rot. Bonds2

About (1R)-1-(thietan-3-yl)propan-1-ol

(1R)-1-(thietan-3-yl)propan-1-ol (PubChem CID 96732659) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is (1R)-1-(thietan-3-yl)propan-1-ol.

Molecular Properties

Compound Name(1R)-1-(thietan-3-yl)propan-1-ol
PubChem CID96732659
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name(1R)-1-(thietan-3-yl)propan-1-ol
SMILESCC[C@@H](O)C1CSC1
InChIInChI=1S/C6H12OS/c1-2-6(7)5-3-8-4-5/h5-7H,2-4H2,1H3/t6-/m1/s1
InChIKeyOAKRSBHZYGCPEP-ZCFIWIBFSA-N
XLogP1.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-cyclopentylpropan-1-ol;sulfane
CID 161153256
1-[4-(dimethylamino)cyclohexyl]propan-1-ol
CID 123513782
1-(thian-3-yl)butan-1-ol
CID 130518370
1-(4-aminocyclohexyl)propan-1-ol
CID 89389818
3-ethyl-1-(thiolan-3-yl)heptan-1-ol
CID 105080644
1-(3-methylcyclopentyl)propan-1-ol
CID 65400346
(1R)-1-[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]propan-1-ol
CID 159001079
1-(4-ethenylcyclohexyl)propan-1-ol
CID 141349608
3-(1-hydroxypropyl)cyclohexan-1-ol
CID 58193370
1-[3-(1-hydroxypropyl)cyclohexyl]ethane-1,2-diol
CID 58100174
1-(5-methyloxolan-3-yl)propan-1-ol
CID 115787725
2-(4-methylphenyl)-1-(thiolan-3-yl)ethanol
CID 105077394

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(thietan-3-yl)propan-1-ol?
The IUPAC name of (1R)-1-(thietan-3-yl)propan-1-ol (CID 96732659) is (1R)-1-(thietan-3-yl)propan-1-ol.
What is the SMILES notation for (1R)-1-(thietan-3-yl)propan-1-ol?
The canonical SMILES for (1R)-1-(thietan-3-yl)propan-1-ol is CC[C@@H](O)C1CSC1.
What is the InChIKey of (1R)-1-(thietan-3-yl)propan-1-ol?
The InChIKey is OAKRSBHZYGCPEP-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H12OS/c1-2-6(7)5-3-8-4-5/h5-7H,2-4H2,1H3/t6-/m1/s1.
What are the key properties of (1R)-1-(thietan-3-yl)propan-1-ol?
(1R)-1-(thietan-3-yl)propan-1-ol has a molecular weight of 132.23 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(thietan-3-yl)propan-1-ol is sourced from PubChem (CID 96732659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).