cyclopentane-1,1,2-trithiol

C10H20S6 — CID 141366875

IUPACcyclopentane-1,1,2-trithiol
SMILESSC1CCCC1(S)S.SC1CCCC1(S)S
InChIInChI=1S/2C5H10S3/c2*6-4-2-1-3-5(4,7)8/h2*4,6-8H,1-3H2
InChIKeyYTLMTQSFRFSWKG-UHFFFAOYSA-N
MW332.67 g/mol
LogP4.05
Rot. Bonds

About cyclopentane-1,1,2-trithiol

cyclopentane-1,1,2-trithiol (PubChem CID 141366875) has the molecular formula C10H20S6 and a molecular weight of 332.67 g/mol. Its IUPAC name is cyclopentane-1,1,2-trithiol.

Molecular Properties

Compound Namecyclopentane-1,1,2-trithiol
PubChem CID141366875
Molecular FormulaC10H20S6
Molecular Weight332.67 g/mol
Exact Mass331.99
IUPAC Namecyclopentane-1,1,2-trithiol
SMILESSC1CCCC1(S)S.SC1CCCC1(S)S
InChIInChI=1S/2C5H10S3/c2*6-4-2-1-3-5(4,7)8/h2*4,6-8H,1-3H2
InChIKeyYTLMTQSFRFSWKG-UHFFFAOYSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.67
LogP ≤ 54.05
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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

cyclopentane-1,1,2-trithiol
CID 141308098
cyclohexane-1,1,2-trithiol
CID 140532753
1-ethylcyclohexane-1,2-dithiol
CID 87150562
2,2,4,4-tetramethylcyclooctane-1-thiol
CID 89408985
cis-(1R,2R)-2-methyl-2-prop-2-enylcyclopentane-1-thiol
CID 145359275
1-(2H-pyrimidin-1-yl)-2-sulfanylcyclopentan-1-ol
CID 134500600
(4R)-spiro[4.4]nonane-4,9-diamine
CID 67207240
(4R,9R)-spiro[4.4]nonane-4,9-diamine
CID 45098389
cis-(1S,2R)-1-(3-aminopropyl)-2-sulfanylcyclopentane-1-carboxylic acid
CID 87573771
6-(hydroxymethyl)-2-sulfanyloxan-2-ol
CID 135368812
4,4,8,8-tetramethyl-1,2,3,5,5a,6,7,9,10,10a-decahydroheptalene
CID 123277009
(4S,5R,10R)-spiro[4.5]decane-4,10-diol
CID 14934378

Frequently Asked Questions

What is the IUPAC name of cyclopentane-1,1,2-trithiol?
The IUPAC name of cyclopentane-1,1,2-trithiol (CID 141366875) is cyclopentane-1,1,2-trithiol.
What is the SMILES notation for cyclopentane-1,1,2-trithiol?
The canonical SMILES for cyclopentane-1,1,2-trithiol is SC1CCCC1(S)S.SC1CCCC1(S)S.
What is the InChIKey of cyclopentane-1,1,2-trithiol?
The InChIKey is YTLMTQSFRFSWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H10S3/c2*6-4-2-1-3-5(4,7)8/h2*4,6-8H,1-3H2.
What are the key properties of cyclopentane-1,1,2-trithiol?
cyclopentane-1,1,2-trithiol has a molecular weight of 332.67 g/mol, XLogP of 4.05, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane-1,1,2-trithiol is sourced from PubChem (CID 141366875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).