1,3-bis(2-sulfanylethylsulfanyl)propane-1,2,3-trithiol

C7H16S7 — CID 172838322

IUPAC1,3-bis(2-sulfanylethylsulfanyl)propane-1,2,3-trithiol
SMILESSCCSC(S)C(S)C(S)SCCS
InChIInChI=1S/C7H16S7/c8-1-3-13-6(11)5(10)7(12)14-4-2-9/h5-12H,1-4H2
InChIKeyWLNLCVPZLSWPOE-UHFFFAOYSA-N
MW324.67 g/mol
LogP3.12
Rot. Bonds8

About 1,3-bis(2-sulfanylethylsulfanyl)propane-1,2,3-trithiol

1,3-bis(2-sulfanylethylsulfanyl)propane-1,2,3-trithiol (PubChem CID 172838322) has the molecular formula C7H16S7 and a molecular weight of 324.67 g/mol. Its IUPAC name is 1,3-bis(2-sulfanylethylsulfanyl)propane-1,2,3-trithiol.

Molecular Properties

Compound Name1,3-bis(2-sulfanylethylsulfanyl)propane-1,2,3-trithiol
PubChem CID172838322
Molecular FormulaC7H16S7
Molecular Weight324.67 g/mol
Exact Mass323.93
IUPAC Name1,3-bis(2-sulfanylethylsulfanyl)propane-1,2,3-trithiol
SMILESSCCSC(S)C(S)C(S)SCCS
InChIInChI=1S/C7H16S7/c8-1-3-13-6(11)5(10)7(12)14-4-2-9/h5-12H,1-4H2
InChIKeyWLNLCVPZLSWPOE-UHFFFAOYSA-N
XLogP3.12
TPSA0.00 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.67
LogP ≤ 53.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3,4-bis(2-sulfanylethylsulfanyl)butane-1,2,4-trithiol
CID 158677450
3-sulfanyl-3-(2-sulfanylethylsulfanyl)propanethial
CID 87129679
3-(disulfanyl)-2-(2-sulfanylethylsulfanyl)propane-1-thiol
CID 155237339
2-(2-sulfanylethylsulfanyl)ethanethiol
CID 89313137
3-sulfanyl-3-(2-sulfanylethylsulfanyl)propane-1-sulfinate
CID 175057338
[2-sulfanyl-1,2-bis(3-sulfanylpropylsulfanyl)ethyl]-(3-sulfanylpropylsulfanyl)-[1-sulfanyl-3-(2-sulfanylethylsulfanyl)propan-2-yl]sulfanium
CID 172693465
2-[1,3-bis(sulfanyl)propan-2-ylsulfanyl]-3-(2-sulfanylethylsulfanyl)butane-1,4-dithiol
CID 54441669
2-(2-sulfanylethylsulfanyl)-3-[[3-sulfanyl-2-(2-sulfanylethylsulfanyl)propyl]trisulfanyl]propane-1-thiol
CID 175012684
2-[3,4,4-tris(2-sulfanylethylsulfanyl)butylsulfanyl]ethanethiol
CID 87106223
2-[1,2-bis(sulfanylmethylsulfanyl)ethylsulfanyl]ethanethiol
CID 158891475
2-(2-sulfanylethylsulfanyl)pentane-1-thiol
CID 23516631
2-(2-sulfanylethylsulfanyl)-3-[3-sulfanyl-2-(2-sulfanylethylsulfanyl)propyl]sulfanylpropane-1-thiol;2-sulfanylpropane-1,3-diol
CID 163915227

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-sulfanylethylsulfanyl)propane-1,2,3-trithiol?
The IUPAC name of 1,3-bis(2-sulfanylethylsulfanyl)propane-1,2,3-trithiol (CID 172838322) is 1,3-bis(2-sulfanylethylsulfanyl)propane-1,2,3-trithiol.
What is the SMILES notation for 1,3-bis(2-sulfanylethylsulfanyl)propane-1,2,3-trithiol?
The canonical SMILES for 1,3-bis(2-sulfanylethylsulfanyl)propane-1,2,3-trithiol is SCCSC(S)C(S)C(S)SCCS.
What is the InChIKey of 1,3-bis(2-sulfanylethylsulfanyl)propane-1,2,3-trithiol?
The InChIKey is WLNLCVPZLSWPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16S7/c8-1-3-13-6(11)5(10)7(12)14-4-2-9/h5-12H,1-4H2.
What are the key properties of 1,3-bis(2-sulfanylethylsulfanyl)propane-1,2,3-trithiol?
1,3-bis(2-sulfanylethylsulfanyl)propane-1,2,3-trithiol has a molecular weight of 324.67 g/mol, XLogP of 3.12, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-sulfanylethylsulfanyl)propane-1,2,3-trithiol is sourced from PubChem (CID 172838322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).