(2R)-2-butan-2-ylcyclopropane-1-thiol

C7H14S — CID 89002970

IUPAC(2R)-2-butan-2-ylcyclopropane-1-thiol
SMILESCCC(C)[C@H]1CC1S
InChIInChI=1S/C7H14S/c1-3-5(2)6-4-7(6)8/h5-8H,3-4H2,1-2H3/t5?,6-,7?/m1/s1
InChIKeyJOGXTOOGAXMRCJ-YURFNIAASA-N
MW130.26 g/mol
LogP2.35
Rot. Bonds2

About (2R)-2-butan-2-ylcyclopropane-1-thiol

(2R)-2-butan-2-ylcyclopropane-1-thiol (PubChem CID 89002970) has the molecular formula C7H14S and a molecular weight of 130.26 g/mol. Its IUPAC name is (2R)-2-butan-2-ylcyclopropane-1-thiol.

Molecular Properties

Compound Name(2R)-2-butan-2-ylcyclopropane-1-thiol
PubChem CID89002970
Molecular FormulaC7H14S
Molecular Weight130.26 g/mol
Exact Mass130.08
IUPAC Name(2R)-2-butan-2-ylcyclopropane-1-thiol
SMILESCCC(C)[C@H]1CC1S
InChIInChI=1S/C7H14S/c1-3-5(2)6-4-7(6)8/h5-8H,3-4H2,1-2H3/t5?,6-,7?/m1/s1
InChIKeyJOGXTOOGAXMRCJ-YURFNIAASA-N
XLogP2.35
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.26
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (2R)-2-butan-2-ylcyclopropane-1-thiol?
The IUPAC name of (2R)-2-butan-2-ylcyclopropane-1-thiol (CID 89002970) is (2R)-2-butan-2-ylcyclopropane-1-thiol.
What is the SMILES notation for (2R)-2-butan-2-ylcyclopropane-1-thiol?
The canonical SMILES for (2R)-2-butan-2-ylcyclopropane-1-thiol is CCC(C)[C@H]1CC1S.
What is the InChIKey of (2R)-2-butan-2-ylcyclopropane-1-thiol?
The InChIKey is JOGXTOOGAXMRCJ-YURFNIAASA-N. The full InChI is InChI=1S/C7H14S/c1-3-5(2)6-4-7(6)8/h5-8H,3-4H2,1-2H3/t5?,6-,7?/m1/s1.
What are the key properties of (2R)-2-butan-2-ylcyclopropane-1-thiol?
(2R)-2-butan-2-ylcyclopropane-1-thiol has a molecular weight of 130.26 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-butan-2-ylcyclopropane-1-thiol is sourced from PubChem (CID 89002970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).