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

C8H14S6 — CID 11460857

IUPAC[2-[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]-1,3-dithiolan-4-yl]methanethiol
SMILESSCC1CSC(C2SCC(CS)S2)S1
InChIInChI=1S/C8H14S6/c9-1-5-3-11-7(13-5)8-12-4-6(2-10)14-8/h5-10H,1-4H2
InChIKeyHNXUIGDCLMZETO-UHFFFAOYSA-N
MW302.60 g/mol
LogP3.20
Rot. Bonds3

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

[2-[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]-1,3-dithiolan-4-yl]methanethiol (PubChem CID 11460857) has the molecular formula C8H14S6 and a molecular weight of 302.60 g/mol. Its IUPAC name is [2-[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]-1,3-dithiolan-4-yl]methanethiol.

Molecular Properties

Compound Name[2-[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]-1,3-dithiolan-4-yl]methanethiol
PubChem CID11460857
Molecular FormulaC8H14S6
Molecular Weight302.60 g/mol
Exact Mass301.94
IUPAC Name[2-[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]-1,3-dithiolan-4-yl]methanethiol
SMILESSCC1CSC(C2SCC(CS)S2)S1
InChIInChI=1S/C8H14S6/c9-1-5-3-11-7(13-5)8-12-4-6(2-10)14-8/h5-10H,1-4H2
InChIKeyHNXUIGDCLMZETO-UHFFFAOYSA-N
XLogP3.20
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.60
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]-1,3-dithiolan-4-yl]methanethiol?
The IUPAC name of [2-[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]-1,3-dithiolan-4-yl]methanethiol (CID 11460857) is [2-[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]-1,3-dithiolan-4-yl]methanethiol.
What is the SMILES notation for [2-[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]-1,3-dithiolan-4-yl]methanethiol?
The canonical SMILES for [2-[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]-1,3-dithiolan-4-yl]methanethiol is SCC1CSC(C2SCC(CS)S2)S1.
What is the InChIKey of [2-[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]-1,3-dithiolan-4-yl]methanethiol?
The InChIKey is HNXUIGDCLMZETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S6/c9-1-5-3-11-7(13-5)8-12-4-6(2-10)14-8/h5-10H,1-4H2.
What are the key properties of [2-[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]-1,3-dithiolan-4-yl]methanethiol?
[2-[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]-1,3-dithiolan-4-yl]methanethiol has a molecular weight of 302.60 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]-1,3-dithiolan-4-yl]methanethiol is sourced from PubChem (CID 11460857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).