(3-ethylthietan-3-yl)methanol

C6H12OS — CID 141475028

IUPAC(3-ethylthietan-3-yl)methanol
SMILESCCC1(CO)CSC1
InChIInChI=1S/C6H12OS/c1-2-6(3-7)4-8-5-6/h7H,2-5H2,1H3
InChIKeyTUDXXAQQEBHUQI-UHFFFAOYSA-N
MW132.23 g/mol
LogP1.12
Rot. Bonds2

About (3-ethylthietan-3-yl)methanol

(3-ethylthietan-3-yl)methanol (PubChem CID 141475028) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is (3-ethylthietan-3-yl)methanol.

Molecular Properties

Compound Name(3-ethylthietan-3-yl)methanol
PubChem CID141475028
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name(3-ethylthietan-3-yl)methanol
SMILESCCC1(CO)CSC1
InChIInChI=1S/C6H12OS/c1-2-6(3-7)4-8-5-6/h7H,2-5H2,1H3
InChIKeyTUDXXAQQEBHUQI-UHFFFAOYSA-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

(3-Methylthietan-3-yl)methanol
CID 15773547
3,3-Dimethyl-2-methylsulfanylbutan-1-ol
CID 13720555
3-Methylthietan-2-ol
CID 20191499
2-Methyl-2-(2-methylsulfanylethyl)propane-1,3-diol
CID 20669297
2-Methyl-4-methylsulfanylbutan-1-ol
CID 22978100
4,4-Dimethylthiolan-2-ol
CID 57181017
(2R)-2-methyl-4-methylsulfanylbutan-1-ol
CID 59044088
(2S)-2-methyl-4-methylsulfanylbutan-1-ol
CID 59568989
(2-Ethylthietan-2-yl)methanol
CID 59817079
2-(Thietan-3-yl)ethan-1-ol
CID 67527600
2-Methyl-3-methylsulfanylbutan-1-ol
CID 86045303
3-Methyl-4-methylsulfanylbutan-1-ol
CID 90863484

Frequently Asked Questions

What is the IUPAC name of (3-ethylthietan-3-yl)methanol?
The IUPAC name of (3-ethylthietan-3-yl)methanol (CID 141475028) is (3-ethylthietan-3-yl)methanol.
What is the SMILES notation for (3-ethylthietan-3-yl)methanol?
The canonical SMILES for (3-ethylthietan-3-yl)methanol is CCC1(CO)CSC1.
What is the InChIKey of (3-ethylthietan-3-yl)methanol?
The InChIKey is TUDXXAQQEBHUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12OS/c1-2-6(3-7)4-8-5-6/h7H,2-5H2,1H3.
What are the key properties of (3-ethylthietan-3-yl)methanol?
(3-ethylthietan-3-yl)methanol 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 (3-ethylthietan-3-yl)methanol is sourced from PubChem (CID 141475028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).