(2-propan-2-ylcyclopenten-1-yl)methanethiol

C9H16S — CID 130248159

IUPAC(2-propan-2-ylcyclopenten-1-yl)methanethiol
SMILESCC(C)C1=C(CS)CCC1
InChIInChI=1S/C9H16S/c1-7(2)9-5-3-4-8(9)6-10/h7,10H,3-6H2,1-2H3
InChIKeyCNDIPGMFDYYZDW-UHFFFAOYSA-N
MW156.29 g/mol
LogP3.05
Rot. Bonds2

About (2-propan-2-ylcyclopenten-1-yl)methanethiol

(2-propan-2-ylcyclopenten-1-yl)methanethiol (PubChem CID 130248159) has the molecular formula C9H16S and a molecular weight of 156.29 g/mol. Its IUPAC name is (2-propan-2-ylcyclopenten-1-yl)methanethiol.

Molecular Properties

Compound Name(2-propan-2-ylcyclopenten-1-yl)methanethiol
PubChem CID130248159
Molecular FormulaC9H16S
Molecular Weight156.29 g/mol
Exact Mass156.10
IUPAC Name(2-propan-2-ylcyclopenten-1-yl)methanethiol
SMILESCC(C)C1=C(CS)CCC1
InChIInChI=1S/C9H16S/c1-7(2)9-5-3-4-8(9)6-10/h7,10H,3-6H2,1-2H3
InChIKeyCNDIPGMFDYYZDW-UHFFFAOYSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.29
LogP ≤ 53.05
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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Related Compounds

(2-propan-2-ylcyclopenten-1-yl)methanol
CID 153463794
ethane;1-methyl-2-propan-2-ylcyclopentene
CID 145236747
1-(2-methylcyclopenten-1-yl)ethanethiol
CID 139333746
1,2-bis(2-methylpropyl)cyclohexene
CID 163419117
1-ethyl-2-(1-methylsulfanylethyl)cyclohexene
CID 170090653
tricyclohexyl-[1-(2-ethylcyclopenten-1-yl)ethyl]phosphanium
CID 101198030
methyl 2-propan-2-ylcyclopentene-1-carboxylate
CID 90076425
2-[2-(3-oxopentan-2-yl)cyclopenten-1-yl]acetic acid
CID 57240850
5-ethyl-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine
CID 167225931
trimethyl-(2-propylcyclopenten-1-yl)phosphanium
CID 91481874
ethane;1,2,3,4-tetra(propan-2-yl)cyclohexa-1,3-diene
CID 167536251
1-(2-methylcyclopenten-1-yl)ethanamine
CID 170059524

Frequently Asked Questions

What is the IUPAC name of (2-propan-2-ylcyclopenten-1-yl)methanethiol?
The IUPAC name of (2-propan-2-ylcyclopenten-1-yl)methanethiol (CID 130248159) is (2-propan-2-ylcyclopenten-1-yl)methanethiol.
What is the SMILES notation for (2-propan-2-ylcyclopenten-1-yl)methanethiol?
The canonical SMILES for (2-propan-2-ylcyclopenten-1-yl)methanethiol is CC(C)C1=C(CS)CCC1.
What is the InChIKey of (2-propan-2-ylcyclopenten-1-yl)methanethiol?
The InChIKey is CNDIPGMFDYYZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16S/c1-7(2)9-5-3-4-8(9)6-10/h7,10H,3-6H2,1-2H3.
What are the key properties of (2-propan-2-ylcyclopenten-1-yl)methanethiol?
(2-propan-2-ylcyclopenten-1-yl)methanethiol has a molecular weight of 156.29 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-ylcyclopenten-1-yl)methanethiol is sourced from PubChem (CID 130248159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).