(3R,4S,5S,6S)-6-ethyl-3,4,5-trimethylthian-2-ol

C10H20OS — CID 157058139

IUPAC(3R,4S,5S,6S)-6-ethyl-3,4,5-trimethylthian-2-ol
SMILESCC[C@@H]1SC(O)[C@H](C)[C@@H](C)[C@@H]1C
InChIInChI=1S/C10H20OS/c1-5-9-7(3)6(2)8(4)10(11)12-9/h6-11H,5H2,1-4H3/t6-,7-,8+,9-,10?/m0/s1
InChIKeyAAZPSXGPQBPTLL-YZUYTKQYSA-N
MW188.34 g/mol
LogP2.74
Rot. Bonds1

About (3R,4S,5S,6S)-6-ethyl-3,4,5-trimethylthian-2-ol

(3R,4S,5S,6S)-6-ethyl-3,4,5-trimethylthian-2-ol (PubChem CID 157058139) has the molecular formula C10H20OS and a molecular weight of 188.34 g/mol. Its IUPAC name is (3R,4S,5S,6S)-6-ethyl-3,4,5-trimethylthian-2-ol.

Molecular Properties

Compound Name(3R,4S,5S,6S)-6-ethyl-3,4,5-trimethylthian-2-ol
PubChem CID157058139
Molecular FormulaC10H20OS
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name(3R,4S,5S,6S)-6-ethyl-3,4,5-trimethylthian-2-ol
SMILESCC[C@@H]1SC(O)[C@H](C)[C@@H](C)[C@@H]1C
InChIInChI=1S/C10H20OS/c1-5-9-7(3)6(2)8(4)10(11)12-9/h6-11H,5H2,1-4H3/t6-,7-,8+,9-,10?/m0/s1
InChIKeyAAZPSXGPQBPTLL-YZUYTKQYSA-N
XLogP2.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Tetrahydro-2-methyl-5-(1-methylethyl)-2-thiopheneethanol
CID 118437122
6-Ethyl-2,3-dimethylthian-4-ol
CID 3430060
1,5-Dithiaspiro[5.11]heptadec-7-ylmethanol
CID 382564
2-Fluoro-3-(thian-3-yl)propan-1-ol
CID 105437754
3-Fluoro-4-(thian-3-yl)butan-2-ol
CID 105446587
3-Fluoro-4-(thian-4-yl)butan-2-ol
CID 105446588
[3-(2-Fluoropropyl)thian-4-yl]methanol
CID 115019223
[4-(2-Fluoropropyl)thian-3-yl]methanol
CID 115019224
[3-(2,2-Difluoropropyl)thian-4-yl]methanol
CID 115027026
[4-(2,2-Difluoropropyl)thian-3-yl]methanol
CID 115027027
Smd8gkv1UP
CID 146048053
J1Sjx3H46M
CID 146048067

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S,6S)-6-ethyl-3,4,5-trimethylthian-2-ol?
The IUPAC name of (3R,4S,5S,6S)-6-ethyl-3,4,5-trimethylthian-2-ol (CID 157058139) is (3R,4S,5S,6S)-6-ethyl-3,4,5-trimethylthian-2-ol.
What is the SMILES notation for (3R,4S,5S,6S)-6-ethyl-3,4,5-trimethylthian-2-ol?
The canonical SMILES for (3R,4S,5S,6S)-6-ethyl-3,4,5-trimethylthian-2-ol is CC[C@@H]1SC(O)[C@H](C)[C@@H](C)[C@@H]1C.
What is the InChIKey of (3R,4S,5S,6S)-6-ethyl-3,4,5-trimethylthian-2-ol?
The InChIKey is AAZPSXGPQBPTLL-YZUYTKQYSA-N. The full InChI is InChI=1S/C10H20OS/c1-5-9-7(3)6(2)8(4)10(11)12-9/h6-11H,5H2,1-4H3/t6-,7-,8+,9-,10?/m0/s1.
What are the key properties of (3R,4S,5S,6S)-6-ethyl-3,4,5-trimethylthian-2-ol?
(3R,4S,5S,6S)-6-ethyl-3,4,5-trimethylthian-2-ol has a molecular weight of 188.34 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S,6S)-6-ethyl-3,4,5-trimethylthian-2-ol is sourced from PubChem (CID 157058139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).