2-methyl-3-propan-2-ylcyclopropane-1-thiol

C7H14S — CID 123473140

IUPAC2-methyl-3-propan-2-ylcyclopropane-1-thiol
SMILESCC(C)C1C(C)C1S
InChIInChI=1S/C7H14S/c1-4(2)6-5(3)7(6)8/h4-8H,1-3H3
InChIKeyBYNVHRWIEIREEX-UHFFFAOYSA-N
MW130.26 g/mol
LogP2.21
Rot. Bonds1

About 2-methyl-3-propan-2-ylcyclopropane-1-thiol

2-methyl-3-propan-2-ylcyclopropane-1-thiol (PubChem CID 123473140) has the molecular formula C7H14S and a molecular weight of 130.26 g/mol. Its IUPAC name is 2-methyl-3-propan-2-ylcyclopropane-1-thiol.

Molecular Properties

Compound Name2-methyl-3-propan-2-ylcyclopropane-1-thiol
PubChem CID123473140
Molecular FormulaC7H14S
Molecular Weight130.26 g/mol
Exact Mass130.08
IUPAC Name2-methyl-3-propan-2-ylcyclopropane-1-thiol
SMILESCC(C)C1C(C)C1S
InChIInChI=1S/C7H14S/c1-4(2)6-5(3)7(6)8/h4-8H,1-3H3
InChIKeyBYNVHRWIEIREEX-UHFFFAOYSA-N
XLogP2.21
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.26
LogP ≤ 52.21
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 2-methyl-3-propan-2-ylcyclopropane-1-thiol?
The IUPAC name of 2-methyl-3-propan-2-ylcyclopropane-1-thiol (CID 123473140) is 2-methyl-3-propan-2-ylcyclopropane-1-thiol.
What is the SMILES notation for 2-methyl-3-propan-2-ylcyclopropane-1-thiol?
The canonical SMILES for 2-methyl-3-propan-2-ylcyclopropane-1-thiol is CC(C)C1C(C)C1S.
What is the InChIKey of 2-methyl-3-propan-2-ylcyclopropane-1-thiol?
The InChIKey is BYNVHRWIEIREEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14S/c1-4(2)6-5(3)7(6)8/h4-8H,1-3H3.
What are the key properties of 2-methyl-3-propan-2-ylcyclopropane-1-thiol?
2-methyl-3-propan-2-ylcyclopropane-1-thiol has a molecular weight of 130.26 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-propan-2-ylcyclopropane-1-thiol is sourced from PubChem (CID 123473140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).