[5-(sulfanylmethyl)thiolan-2-yl]methanethiol;thiophene-3,4-dithiol

C10H16S6 — CID 161397004

IUPAC[5-(sulfanylmethyl)thiolan-2-yl]methanethiol;thiophene-3,4-dithiol
SMILESSCC1CCC(CS)S1.Sc1cscc1S
InChIInChI=1S/C6H12S3.C4H4S3/c7-3-5-1-2-6(4-8)9-5;5-3-1-7-2-4(3)6/h5-8H,1-4H2;1-2,5-6H
InChIKeyVTSQRCYWLAXLEA-UHFFFAOYSA-N
MW328.64 g/mol
LogP4.44
Rot. Bonds2

About [5-(sulfanylmethyl)thiolan-2-yl]methanethiol;thiophene-3,4-dithiol

[5-(sulfanylmethyl)thiolan-2-yl]methanethiol;thiophene-3,4-dithiol (PubChem CID 161397004) has the molecular formula C10H16S6 and a molecular weight of 328.64 g/mol. Its IUPAC name is [5-(sulfanylmethyl)thiolan-2-yl]methanethiol;thiophene-3,4-dithiol.

Molecular Properties

Compound Name[5-(sulfanylmethyl)thiolan-2-yl]methanethiol;thiophene-3,4-dithiol
PubChem CID161397004
Molecular FormulaC10H16S6
Molecular Weight328.64 g/mol
Exact Mass327.96
IUPAC Name[5-(sulfanylmethyl)thiolan-2-yl]methanethiol;thiophene-3,4-dithiol
SMILESSCC1CCC(CS)S1.Sc1cscc1S
InChIInChI=1S/C6H12S3.C4H4S3/c7-3-5-1-2-6(4-8)9-5;5-3-1-7-2-4(3)6/h5-8H,1-4H2;1-2,5-6H
InChIKeyVTSQRCYWLAXLEA-UHFFFAOYSA-N
XLogP4.44
TPSA0.00 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.64
LogP ≤ 54.44
H-Bond Donors ≤ 54
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 [5-(sulfanylmethyl)thiolan-2-yl]methanethiol;thiophene-3,4-dithiol?
The IUPAC name of [5-(sulfanylmethyl)thiolan-2-yl]methanethiol;thiophene-3,4-dithiol (CID 161397004) is [5-(sulfanylmethyl)thiolan-2-yl]methanethiol;thiophene-3,4-dithiol.
What is the SMILES notation for [5-(sulfanylmethyl)thiolan-2-yl]methanethiol;thiophene-3,4-dithiol?
The canonical SMILES for [5-(sulfanylmethyl)thiolan-2-yl]methanethiol;thiophene-3,4-dithiol is SCC1CCC(CS)S1.Sc1cscc1S.
What is the InChIKey of [5-(sulfanylmethyl)thiolan-2-yl]methanethiol;thiophene-3,4-dithiol?
The InChIKey is VTSQRCYWLAXLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12S3.C4H4S3/c7-3-5-1-2-6(4-8)9-5;5-3-1-7-2-4(3)6/h5-8H,1-4H2;1-2,5-6H.
What are the key properties of [5-(sulfanylmethyl)thiolan-2-yl]methanethiol;thiophene-3,4-dithiol?
[5-(sulfanylmethyl)thiolan-2-yl]methanethiol;thiophene-3,4-dithiol has a molecular weight of 328.64 g/mol, XLogP of 4.44, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(sulfanylmethyl)thiolan-2-yl]methanethiol;thiophene-3,4-dithiol is sourced from PubChem (CID 161397004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).