1-(methylsulfonylmethyl)cyclopropane-1-thiol

C5H10O2S2 — CID 123220428

IUPAC1-(methylsulfonylmethyl)cyclopropane-1-thiol
SMILESCS(=O)(=O)CC1(S)CC1
InChIInChI=1S/C5H10O2S2/c1-9(6,7)4-5(8)2-3-5/h8H,2-4H2,1H3
InChIKeyUAJZWPBJRQUOOC-UHFFFAOYSA-N
MW166.27 g/mol
LogP0.49
Rot. Bonds2

About 1-(methylsulfonylmethyl)cyclopropane-1-thiol

1-(methylsulfonylmethyl)cyclopropane-1-thiol (PubChem CID 123220428) has the molecular formula C5H10O2S2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1-(methylsulfonylmethyl)cyclopropane-1-thiol.

Molecular Properties

Compound Name1-(methylsulfonylmethyl)cyclopropane-1-thiol
PubChem CID123220428
Molecular FormulaC5H10O2S2
Molecular Weight166.27 g/mol
Exact Mass166.01
IUPAC Name1-(methylsulfonylmethyl)cyclopropane-1-thiol
SMILESCS(=O)(=O)CC1(S)CC1
InChIInChI=1S/C5H10O2S2/c1-9(6,7)4-5(8)2-3-5/h8H,2-4H2,1H3
InChIKeyUAJZWPBJRQUOOC-UHFFFAOYSA-N
XLogP0.49
TPSA34.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-(methylsulfonylmethyl)cyclopropane-1-thiol?
The IUPAC name of 1-(methylsulfonylmethyl)cyclopropane-1-thiol (CID 123220428) is 1-(methylsulfonylmethyl)cyclopropane-1-thiol.
What is the SMILES notation for 1-(methylsulfonylmethyl)cyclopropane-1-thiol?
The canonical SMILES for 1-(methylsulfonylmethyl)cyclopropane-1-thiol is CS(=O)(=O)CC1(S)CC1.
What is the InChIKey of 1-(methylsulfonylmethyl)cyclopropane-1-thiol?
The InChIKey is UAJZWPBJRQUOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2S2/c1-9(6,7)4-5(8)2-3-5/h8H,2-4H2,1H3.
What are the key properties of 1-(methylsulfonylmethyl)cyclopropane-1-thiol?
1-(methylsulfonylmethyl)cyclopropane-1-thiol has a molecular weight of 166.27 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylsulfonylmethyl)cyclopropane-1-thiol is sourced from PubChem (CID 123220428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).