(2-methyl-1,3-dithiol-4-yl)methanol

C5H8OS2 — CID 141027770

IUPAC(2-methyl-1,3-dithiol-4-yl)methanol
SMILESCC1SC=C(CO)S1
InChIInChI=1S/C5H8OS2/c1-4-7-3-5(2-6)8-4/h3-4,6H,2H2,1H3
InChIKeyICCRQFGEHULUMC-UHFFFAOYSA-N
MW148.25 g/mol
LogP1.65
Rot. Bonds1

About (2-methyl-1,3-dithiol-4-yl)methanol

(2-methyl-1,3-dithiol-4-yl)methanol (PubChem CID 141027770) has the molecular formula C5H8OS2 and a molecular weight of 148.25 g/mol. Its IUPAC name is (2-methyl-1,3-dithiol-4-yl)methanol.

Molecular Properties

Compound Name(2-methyl-1,3-dithiol-4-yl)methanol
PubChem CID141027770
Molecular FormulaC5H8OS2
Molecular Weight148.25 g/mol
Exact Mass148.00
IUPAC Name(2-methyl-1,3-dithiol-4-yl)methanol
SMILESCC1SC=C(CO)S1
InChIInChI=1S/C5H8OS2/c1-4-7-3-5(2-6)8-4/h3-4,6H,2H2,1H3
InChIKeyICCRQFGEHULUMC-UHFFFAOYSA-N
XLogP1.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methylsulfanylprop-2-en-1-ol
CID 13331380
2-Propylsulfanylprop-2-en-1-ol
CID 13331382
(5,6-Dihydro-1,4-dithiin-2-yl)methanol
CID 10725505
(Z)-2,3-bis(methylsulfanyl)prop-2-en-1-ol
CID 12170649
(e)-2,2'-(Prop-1-ene-1,2-diylbis(sulfanediyl))bis(ethan-1-ol)
CID 177923931
(z)-2,2'-(Prop-1-ene-1,2-diylbis(sulfanediyl))bis(ethan-1-ol)
CID 177923932
2-Ethylsulfanylprop-2-en-1-ol
CID 13331381
2-Butan-2-ylsulfanylprop-2-en-1-ol
CID 13331385
2-Butylsulfanylprop-2-en-1-ol
CID 15575918
InChI=1/C7H14OS2/c1-3-9-7(5-6-8)10-4-2/h5,8H,3-4,6H2,1-2H
CID 21581185
{2-[4,5-Bis(methylsulfanyl)-2H-1,3-dithiol-2-ylidene]-2H-1,3-dithiol-4-yl}methanol
CID 71353975
[2-(1,3-Dithiol-2-yl)-1,3-dithiol-4-yl]methanol
CID 89647414

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-dithiol-4-yl)methanol?
The IUPAC name of (2-methyl-1,3-dithiol-4-yl)methanol (CID 141027770) is (2-methyl-1,3-dithiol-4-yl)methanol.
What is the SMILES notation for (2-methyl-1,3-dithiol-4-yl)methanol?
The canonical SMILES for (2-methyl-1,3-dithiol-4-yl)methanol is CC1SC=C(CO)S1.
What is the InChIKey of (2-methyl-1,3-dithiol-4-yl)methanol?
The InChIKey is ICCRQFGEHULUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8OS2/c1-4-7-3-5(2-6)8-4/h3-4,6H,2H2,1H3.
What are the key properties of (2-methyl-1,3-dithiol-4-yl)methanol?
(2-methyl-1,3-dithiol-4-yl)methanol has a molecular weight of 148.25 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-dithiol-4-yl)methanol is sourced from PubChem (CID 141027770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).