1-thiophen-2-ylpropane-1,1-dithiol

C7H10S3 — CID 154261412

IUPAC1-thiophen-2-ylpropane-1,1-dithiol
SMILESCCC(S)(S)c1cccs1
InChIInChI=1S/C7H10S3/c1-2-7(8,9)6-4-3-5-10-6/h3-5,8-9H,2H2,1H3
InChIKeyUCBOTQGLTSTDTF-UHFFFAOYSA-N
MW190.36 g/mol
LogP3.17
Rot. Bonds2

About 1-thiophen-2-ylpropane-1,1-dithiol

1-thiophen-2-ylpropane-1,1-dithiol (PubChem CID 154261412) has the molecular formula C7H10S3 and a molecular weight of 190.36 g/mol. Its IUPAC name is 1-thiophen-2-ylpropane-1,1-dithiol.

Molecular Properties

Compound Name1-thiophen-2-ylpropane-1,1-dithiol
PubChem CID154261412
Molecular FormulaC7H10S3
Molecular Weight190.36 g/mol
Exact Mass189.99
IUPAC Name1-thiophen-2-ylpropane-1,1-dithiol
SMILESCCC(S)(S)c1cccs1
InChIInChI=1S/C7H10S3/c1-2-7(8,9)6-4-3-5-10-6/h3-5,8-9H,2H2,1H3
InChIKeyUCBOTQGLTSTDTF-UHFFFAOYSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.36
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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1-(methylamino)-1-thiophen-2-ylpropan-1-ol
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2-[(E)-3-ethylhept-4-en-3-yl]thiophene
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2-(2-bromopropan-2-yl)thiophene
CID 174915633
(1S)-1-amino-1-thiophen-2-ylbutan-1-ol
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2-tert-butylthiophene;methanamine
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2-(1,1-dichloroethyl)thiophene
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2-(1-chloro-2-methylpropan-2-yl)thiophene
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2-(1-bromo-2-methylpropan-2-yl)thiophene
CID 83690309
2-methyl-2-thiophen-2-ylpropan-1-amine
CID 51664087
(1S)-1-amino-2-methyl-1-thiophen-2-ylpropan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-ylpropane-1,1-dithiol?
The IUPAC name of 1-thiophen-2-ylpropane-1,1-dithiol (CID 154261412) is 1-thiophen-2-ylpropane-1,1-dithiol.
What is the SMILES notation for 1-thiophen-2-ylpropane-1,1-dithiol?
The canonical SMILES for 1-thiophen-2-ylpropane-1,1-dithiol is CCC(S)(S)c1cccs1.
What is the InChIKey of 1-thiophen-2-ylpropane-1,1-dithiol?
The InChIKey is UCBOTQGLTSTDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10S3/c1-2-7(8,9)6-4-3-5-10-6/h3-5,8-9H,2H2,1H3.
What are the key properties of 1-thiophen-2-ylpropane-1,1-dithiol?
1-thiophen-2-ylpropane-1,1-dithiol has a molecular weight of 190.36 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-ylpropane-1,1-dithiol is sourced from PubChem (CID 154261412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).