[5-(hydroxymethyl)-2-methylsulfanyl-1,3-dithiol-4-yl]methanol

C6H10O2S3 — CID 10013363

IUPAC[5-(hydroxymethyl)-2-methylsulfanyl-1,3-dithiol-4-yl]methanol
SMILESCSC1SC(CO)=C(CO)S1
InChIInChI=1S/C6H10O2S3/c1-9-6-10-4(2-7)5(3-8)11-6/h6-8H,2-3H2,1H3
InChIKeyUTDNMSMCMOYMCX-UHFFFAOYSA-N
MW210.34 g/mol
LogP1.31
Rot. Bonds3

About [5-(hydroxymethyl)-2-methylsulfanyl-1,3-dithiol-4-yl]methanol

[5-(hydroxymethyl)-2-methylsulfanyl-1,3-dithiol-4-yl]methanol (PubChem CID 10013363) has the molecular formula C6H10O2S3 and a molecular weight of 210.34 g/mol. Its IUPAC name is [5-(hydroxymethyl)-2-methylsulfanyl-1,3-dithiol-4-yl]methanol.

Molecular Properties

Compound Name[5-(hydroxymethyl)-2-methylsulfanyl-1,3-dithiol-4-yl]methanol
PubChem CID10013363
Molecular FormulaC6H10O2S3
Molecular Weight210.34 g/mol
Exact Mass209.98
IUPAC Name[5-(hydroxymethyl)-2-methylsulfanyl-1,3-dithiol-4-yl]methanol
SMILESCSC1SC(CO)=C(CO)S1
InChIInChI=1S/C6H10O2S3/c1-9-6-10-4(2-7)5(3-8)11-6/h6-8H,2-3H2,1H3
InChIKeyUTDNMSMCMOYMCX-UHFFFAOYSA-N
XLogP1.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-Bis(hydroxymethyl)-1,3-dithiole-2-thione
CID 10465233
[5-(Hydroxymethyl)-2-iodo-2-methylsulfanyl-1,3-dithiol-4-yl]methanol
CID 15641499
[2-[4,5-Bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol
CID 15307654
4,5-Bis(hydroxymethyl)-1,3-dithiol-2-one
CID 86190340
[5-(Hydroxymethyl)-1,3-dithiol-4-yl]methanol
CID 141171965
[2-(4,5-Dimethyl-1,3-dithiol-2-ylidene)-5-methyl-1,3-dithiol-4-yl]methanol
CID 15212274

Frequently Asked Questions

What is the IUPAC name of [5-(hydroxymethyl)-2-methylsulfanyl-1,3-dithiol-4-yl]methanol?
The IUPAC name of [5-(hydroxymethyl)-2-methylsulfanyl-1,3-dithiol-4-yl]methanol (CID 10013363) is [5-(hydroxymethyl)-2-methylsulfanyl-1,3-dithiol-4-yl]methanol.
What is the SMILES notation for [5-(hydroxymethyl)-2-methylsulfanyl-1,3-dithiol-4-yl]methanol?
The canonical SMILES for [5-(hydroxymethyl)-2-methylsulfanyl-1,3-dithiol-4-yl]methanol is CSC1SC(CO)=C(CO)S1.
What is the InChIKey of [5-(hydroxymethyl)-2-methylsulfanyl-1,3-dithiol-4-yl]methanol?
The InChIKey is UTDNMSMCMOYMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2S3/c1-9-6-10-4(2-7)5(3-8)11-6/h6-8H,2-3H2,1H3.
What are the key properties of [5-(hydroxymethyl)-2-methylsulfanyl-1,3-dithiol-4-yl]methanol?
[5-(hydroxymethyl)-2-methylsulfanyl-1,3-dithiol-4-yl]methanol has a molecular weight of 210.34 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(hydroxymethyl)-2-methylsulfanyl-1,3-dithiol-4-yl]methanol is sourced from PubChem (CID 10013363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).