(1R)-2-prop-2-enylcyclopropane-1-thiol

C6H10S — CID 88556640

IUPAC(1R)-2-prop-2-enylcyclopropane-1-thiol
SMILESC=CCC1C[C@H]1S
InChIInChI=1S/C6H10S/c1-2-3-5-4-6(5)7/h2,5-7H,1,3-4H2/t5?,6-/m1/s1
InChIKeyLPBYVDFWHFWXES-PRJDIBJQSA-N
MW114.21 g/mol
LogP1.88
Rot. Bonds2

About (1R)-2-prop-2-enylcyclopropane-1-thiol

(1R)-2-prop-2-enylcyclopropane-1-thiol (PubChem CID 88556640) has the molecular formula C6H10S and a molecular weight of 114.21 g/mol. Its IUPAC name is (1R)-2-prop-2-enylcyclopropane-1-thiol.

Molecular Properties

Compound Name(1R)-2-prop-2-enylcyclopropane-1-thiol
PubChem CID88556640
Molecular FormulaC6H10S
Molecular Weight114.21 g/mol
Exact Mass114.05
IUPAC Name(1R)-2-prop-2-enylcyclopropane-1-thiol
SMILESC=CCC1C[C@H]1S
InChIInChI=1S/C6H10S/c1-2-3-5-4-6(5)7/h2,5-7H,1,3-4H2/t5?,6-/m1/s1
InChIKeyLPBYVDFWHFWXES-PRJDIBJQSA-N
XLogP1.88
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.21
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-prop-2-enylcyclopropane-1-thiol?
The IUPAC name of (1R)-2-prop-2-enylcyclopropane-1-thiol (CID 88556640) is (1R)-2-prop-2-enylcyclopropane-1-thiol.
What is the SMILES notation for (1R)-2-prop-2-enylcyclopropane-1-thiol?
The canonical SMILES for (1R)-2-prop-2-enylcyclopropane-1-thiol is C=CCC1C[C@H]1S.
What is the InChIKey of (1R)-2-prop-2-enylcyclopropane-1-thiol?
The InChIKey is LPBYVDFWHFWXES-PRJDIBJQSA-N. The full InChI is InChI=1S/C6H10S/c1-2-3-5-4-6(5)7/h2,5-7H,1,3-4H2/t5?,6-/m1/s1.
What are the key properties of (1R)-2-prop-2-enylcyclopropane-1-thiol?
(1R)-2-prop-2-enylcyclopropane-1-thiol has a molecular weight of 114.21 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-prop-2-enylcyclopropane-1-thiol is sourced from PubChem (CID 88556640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).