(2R,3S)-2-(2-hydroxypropan-2-yl)thian-3-ol

C8H16O2S — CID 11008464

IUPAC(2R,3S)-2-(2-hydroxypropan-2-yl)thian-3-ol
SMILESCC(C)(O)[C@@H]1SCCC[C@@H]1O
InChIInChI=1S/C8H16O2S/c1-8(2,10)7-6(9)4-3-5-11-7/h6-7,9-10H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKeyCDWYJEXRXJJCCD-NKWVEPMBSA-N
MW176.28 g/mol
LogP1.01
Rot. Bonds1

About (2R,3S)-2-(2-hydroxypropan-2-yl)thian-3-ol

(2R,3S)-2-(2-hydroxypropan-2-yl)thian-3-ol (PubChem CID 11008464) has the molecular formula C8H16O2S and a molecular weight of 176.28 g/mol. Its IUPAC name is (2R,3S)-2-(2-hydroxypropan-2-yl)thian-3-ol.

Molecular Properties

Compound Name(2R,3S)-2-(2-hydroxypropan-2-yl)thian-3-ol
PubChem CID11008464
Molecular FormulaC8H16O2S
Molecular Weight176.28 g/mol
Exact Mass176.09
IUPAC Name(2R,3S)-2-(2-hydroxypropan-2-yl)thian-3-ol
SMILESCC(C)(O)[C@@H]1SCCC[C@@H]1O
InChIInChI=1S/C8H16O2S/c1-8(2,10)7-6(9)4-3-5-11-7/h6-7,9-10H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKeyCDWYJEXRXJJCCD-NKWVEPMBSA-N
XLogP1.01
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(2-hydroxypropan-2-yl)thian-3-ol?
The IUPAC name of (2R,3S)-2-(2-hydroxypropan-2-yl)thian-3-ol (CID 11008464) is (2R,3S)-2-(2-hydroxypropan-2-yl)thian-3-ol.
What is the SMILES notation for (2R,3S)-2-(2-hydroxypropan-2-yl)thian-3-ol?
The canonical SMILES for (2R,3S)-2-(2-hydroxypropan-2-yl)thian-3-ol is CC(C)(O)[C@@H]1SCCC[C@@H]1O.
What is the InChIKey of (2R,3S)-2-(2-hydroxypropan-2-yl)thian-3-ol?
The InChIKey is CDWYJEXRXJJCCD-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H16O2S/c1-8(2,10)7-6(9)4-3-5-11-7/h6-7,9-10H,3-5H2,1-2H3/t6-,7+/m0/s1.
What are the key properties of (2R,3S)-2-(2-hydroxypropan-2-yl)thian-3-ol?
(2R,3S)-2-(2-hydroxypropan-2-yl)thian-3-ol has a molecular weight of 176.28 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(2-hydroxypropan-2-yl)thian-3-ol is sourced from PubChem (CID 11008464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).