[2-(sulfanylmethyl)-1,3-dithiolan-4-yl]methanethiol

C5H10S4 — CID 22237235

IUPAC[2-(sulfanylmethyl)-1,3-dithiolan-4-yl]methanethiol
SMILESSCC1CSC(CS)S1
InChIInChI=1S/C5H10S4/c6-1-4-3-8-5(2-7)9-4/h4-7H,1-3H2
InChIKeyGVHDQXDJQLJYCQ-UHFFFAOYSA-N
MW198.40 g/mol
LogP2.02
Rot. Bonds2

About [2-(sulfanylmethyl)-1,3-dithiolan-4-yl]methanethiol

[2-(sulfanylmethyl)-1,3-dithiolan-4-yl]methanethiol (PubChem CID 22237235) has the molecular formula C5H10S4 and a molecular weight of 198.40 g/mol. Its IUPAC name is [2-(sulfanylmethyl)-1,3-dithiolan-4-yl]methanethiol.

Molecular Properties

Compound Name[2-(sulfanylmethyl)-1,3-dithiolan-4-yl]methanethiol
PubChem CID22237235
Molecular FormulaC5H10S4
Molecular Weight198.40 g/mol
Exact Mass197.97
IUPAC Name[2-(sulfanylmethyl)-1,3-dithiolan-4-yl]methanethiol
SMILESSCC1CSC(CS)S1
InChIInChI=1S/C5H10S4/c6-1-4-3-8-5(2-7)9-4/h4-7H,1-3H2
InChIKeyGVHDQXDJQLJYCQ-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

3,5-Diethyl-1,2,4-trithiolane
CID 520895
3,5-Diethyl-1,2,4-trithiolane, (Z)-
CID 6431294
2,2,4-Trimethyl-1,3-dithiolane
CID 22148
1,3-Dithiolane, 2-ethyl-2-methyl-
CID 22333
2-Methyl-2-tetrahydrothiophenethiol
CID 526190
2-Tetrahydrothiophenethiol
CID 526191
trans-3,5-Diethyl-1,2,4-trithiolane
CID 6432398
1,2,4-Trithiolane, 3-ethyl-5-methyl-
CID 6428834
2-Ethyl-4-methyl-1,3-dithiolane
CID 529629
(3S,5S)-3-Ethyl-5-methyl-1,2,4-trithiolane
CID 71374493
2,4-Dimethyl-1,3-dithiolane
CID 529623
2-Propyl-1,3-dithiolane
CID 529632

Frequently Asked Questions

What is the IUPAC name of [2-(sulfanylmethyl)-1,3-dithiolan-4-yl]methanethiol?
The IUPAC name of [2-(sulfanylmethyl)-1,3-dithiolan-4-yl]methanethiol (CID 22237235) is [2-(sulfanylmethyl)-1,3-dithiolan-4-yl]methanethiol.
What is the SMILES notation for [2-(sulfanylmethyl)-1,3-dithiolan-4-yl]methanethiol?
The canonical SMILES for [2-(sulfanylmethyl)-1,3-dithiolan-4-yl]methanethiol is SCC1CSC(CS)S1.
What is the InChIKey of [2-(sulfanylmethyl)-1,3-dithiolan-4-yl]methanethiol?
The InChIKey is GVHDQXDJQLJYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10S4/c6-1-4-3-8-5(2-7)9-4/h4-7H,1-3H2.
What are the key properties of [2-(sulfanylmethyl)-1,3-dithiolan-4-yl]methanethiol?
[2-(sulfanylmethyl)-1,3-dithiolan-4-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-4-yl]methanethiol is sourced from PubChem (CID 22237235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).