(2-ethylthietan-2-yl)methanol

C6H12OS — CID 59817079

IUPAC(2-ethylthietan-2-yl)methanol
SMILESCCC1(CO)CCS1
InChIInChI=1S/C6H12OS/c1-2-6(5-7)3-4-8-6/h7H,2-5H2,1H3
InChIKeyVQTHBKBDPXQQGF-UHFFFAOYSA-N
MW132.23 g/mol
LogP1.26
Rot. Bonds2

About (2-ethylthietan-2-yl)methanol

(2-ethylthietan-2-yl)methanol (PubChem CID 59817079) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is (2-ethylthietan-2-yl)methanol.

Molecular Properties

Compound Name(2-ethylthietan-2-yl)methanol
PubChem CID59817079
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name(2-ethylthietan-2-yl)methanol
SMILESCCC1(CO)CCS1
InChIInChI=1S/C6H12OS/c1-2-6(5-7)3-4-8-6/h7H,2-5H2,1H3
InChIKeyVQTHBKBDPXQQGF-UHFFFAOYSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-ethylthietan-2-yl)methanol?
The IUPAC name of (2-ethylthietan-2-yl)methanol (CID 59817079) is (2-ethylthietan-2-yl)methanol.
What is the SMILES notation for (2-ethylthietan-2-yl)methanol?
The canonical SMILES for (2-ethylthietan-2-yl)methanol is CCC1(CO)CCS1.
What is the InChIKey of (2-ethylthietan-2-yl)methanol?
The InChIKey is VQTHBKBDPXQQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12OS/c1-2-6(5-7)3-4-8-6/h7H,2-5H2,1H3.
What are the key properties of (2-ethylthietan-2-yl)methanol?
(2-ethylthietan-2-yl)methanol has a molecular weight of 132.23 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylthietan-2-yl)methanol is sourced from PubChem (CID 59817079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).