ethane;2,4,5-trimethylthiolan-3-ol

C9H20OS — CID 144965503

IUPACethane;2,4,5-trimethylthiolan-3-ol
SMILESCC.CC1SC(C)C(O)C1C
InChIInChI=1S/C7H14OS.C2H6/c1-4-5(2)9-6(3)7(4)8;1-2/h4-8H,1-3H3;1-2H3
InChIKeyFUOMLCRXHAEAPH-UHFFFAOYSA-N
MW176.32 g/mol
LogP2.53
Rot. Bonds

About ethane;2,4,5-trimethylthiolan-3-ol

ethane;2,4,5-trimethylthiolan-3-ol (PubChem CID 144965503) has the molecular formula C9H20OS and a molecular weight of 176.32 g/mol. Its IUPAC name is ethane;2,4,5-trimethylthiolan-3-ol.

Molecular Properties

Compound Nameethane;2,4,5-trimethylthiolan-3-ol
PubChem CID144965503
Molecular FormulaC9H20OS
Molecular Weight176.32 g/mol
Exact Mass176.12
IUPAC Nameethane;2,4,5-trimethylthiolan-3-ol
SMILESCC.CC1SC(C)C(O)C1C
InChIInChI=1S/C7H14OS.C2H6/c1-4-5(2)9-6(3)7(4)8;1-2/h4-8H,1-3H3;1-2H3
InChIKeyFUOMLCRXHAEAPH-UHFFFAOYSA-N
XLogP2.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2,3-dimethylcyclopropan-1-ol
CID 173306707
ethane;6-methylcyclohexane-1,2,3,4,5-pentol
CID 143664733
(1R,2S,4R,5S)-6-methylcyclohexane-1,2,3,4,5-pentol
CID 59630573
2,3,4,5,6-pentamethylcyclohexan-1-ol
CID 18730220
(2R,3R)-2-ethyl-3,4,5-trimethylthiolane
CID 59070028
6-ethyl-2,3-dimethylthian-4-ol
CID 3430060
3,4-diamino-2,5,6-trimethylcyclohexan-1-ol
CID 163574132
2-hydroxy-6-methylthiane-3,4,5-triolate;tris(rubidium(1+))
CID 144905302
(2S,4R,5R)-4-methoxy-5-(methoxymethyl)-2-methylthiolan-3-ol
CID 165022353
(3R,4R,6S)-2,4,5,6-tetramethyloxan-3-ol
CID 91529675
ethane;2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol
CID 144927729
(2R,3R,5S)-2,6-dimethyloxane-3,4,5-triol
CID 90181496

Frequently Asked Questions

What is the IUPAC name of ethane;2,4,5-trimethylthiolan-3-ol?
The IUPAC name of ethane;2,4,5-trimethylthiolan-3-ol (CID 144965503) is ethane;2,4,5-trimethylthiolan-3-ol.
What is the SMILES notation for ethane;2,4,5-trimethylthiolan-3-ol?
The canonical SMILES for ethane;2,4,5-trimethylthiolan-3-ol is CC.CC1SC(C)C(O)C1C.
What is the InChIKey of ethane;2,4,5-trimethylthiolan-3-ol?
The InChIKey is FUOMLCRXHAEAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OS.C2H6/c1-4-5(2)9-6(3)7(4)8;1-2/h4-8H,1-3H3;1-2H3.
What are the key properties of ethane;2,4,5-trimethylthiolan-3-ol?
ethane;2,4,5-trimethylthiolan-3-ol has a molecular weight of 176.32 g/mol, XLogP of 2.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,4,5-trimethylthiolan-3-ol is sourced from PubChem (CID 144965503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).