[2-(sulfanylmethyl)-1,3-dithiolan-2-yl]methanethiol

C5H10S4 — CID 11217854

IUPAC[2-(sulfanylmethyl)-1,3-dithiolan-2-yl]methanethiol
SMILESSCC1(CS)SCCS1
InChIInChI=1S/C5H10S4/c6-3-5(4-7)8-1-2-9-5/h6-7H,1-4H2
InChIKeyDVMDTNAJXUZNMX-UHFFFAOYSA-N
MW198.40 g/mol
LogP2.02
Rot. Bonds2

About [2-(sulfanylmethyl)-1,3-dithiolan-2-yl]methanethiol

[2-(sulfanylmethyl)-1,3-dithiolan-2-yl]methanethiol (PubChem CID 11217854) has the molecular formula C5H10S4 and a molecular weight of 198.40 g/mol. Its IUPAC name is [2-(sulfanylmethyl)-1,3-dithiolan-2-yl]methanethiol.

Molecular Properties

Compound Name[2-(sulfanylmethyl)-1,3-dithiolan-2-yl]methanethiol
PubChem CID11217854
Molecular FormulaC5H10S4
Molecular Weight198.40 g/mol
Exact Mass197.97
IUPAC Name[2-(sulfanylmethyl)-1,3-dithiolan-2-yl]methanethiol
SMILESSCC1(CS)SCCS1
InChIInChI=1S/C5H10S4/c6-3-5(4-7)8-1-2-9-5/h6-7H,1-4H2
InChIKeyDVMDTNAJXUZNMX-UHFFFAOYSA-N
XLogP2.02
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.40
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1,3-Dithiolane, 2,2-dimethyl-
CID 22332
2-Tetrahydrothiophenethiol
CID 526191
2-[(2-Sulfanylethyl)sulfanyl]propane-1,3-dithiol
CID 15218843
4-Mercaptomethyl-1,3-dithiolane
CID 11182708
1-[1,2-Bis(sulfanyl)ethylsulfanyl]ethane-1,2-dithiol
CID 11413324
2-(2'-Mercaptoethyl)-1,3-dithiolane
CID 12080996
2-(4-Methyl-1,3-dithiolan-2-yl)ethanethiol
CID 12080999
3-(1,3-Dithiolan-4-ylmethylsulfanyl)propane-1-thiol
CID 17826190
(4-Methyl-1,3-dithiolan-2-yl)methanethiol
CID 18522623
1-(3-Sulfanylpropylsulfanyl)ethane-1,2-dithiol
CID 19360930
1,3-Dithiolan-2-ylmethanethiol
CID 20706902
[4-(Methylsulfanylmethyl)-1,3-dithiolan-2-yl]methanethiol
CID 20747834

Frequently Asked Questions

What is the IUPAC name of [2-(sulfanylmethyl)-1,3-dithiolan-2-yl]methanethiol?
The IUPAC name of [2-(sulfanylmethyl)-1,3-dithiolan-2-yl]methanethiol (CID 11217854) is [2-(sulfanylmethyl)-1,3-dithiolan-2-yl]methanethiol.
What is the SMILES notation for [2-(sulfanylmethyl)-1,3-dithiolan-2-yl]methanethiol?
The canonical SMILES for [2-(sulfanylmethyl)-1,3-dithiolan-2-yl]methanethiol is SCC1(CS)SCCS1.
What is the InChIKey of [2-(sulfanylmethyl)-1,3-dithiolan-2-yl]methanethiol?
The InChIKey is DVMDTNAJXUZNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10S4/c6-3-5(4-7)8-1-2-9-5/h6-7H,1-4H2.
What are the key properties of [2-(sulfanylmethyl)-1,3-dithiolan-2-yl]methanethiol?
[2-(sulfanylmethyl)-1,3-dithiolan-2-yl]methanethiol has a molecular weight of 198.40 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(sulfanylmethyl)-1,3-dithiolan-2-yl]methanethiol is sourced from PubChem (CID 11217854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).