(3-cyclopropylphenyl)methanethiol

C10H12S — CID 79977406

IUPAC(3-cyclopropylphenyl)methanethiol
SMILESSCc1cccc(C2CC2)c1
InChIInChI=1S/C10H12S/c11-7-8-2-1-3-10(6-8)9-4-5-9/h1-3,6,9,11H,4-5,7H2
InChIKeyBYJZLNWOTVKQRF-UHFFFAOYSA-N
MW164.27 g/mol
LogP2.99
Rot. Bonds2

About (3-cyclopropylphenyl)methanethiol

(3-cyclopropylphenyl)methanethiol (PubChem CID 79977406) has the molecular formula C10H12S and a molecular weight of 164.27 g/mol. Its IUPAC name is (3-cyclopropylphenyl)methanethiol.

Molecular Properties

Compound Name(3-cyclopropylphenyl)methanethiol
PubChem CID79977406
Molecular FormulaC10H12S
Molecular Weight164.27 g/mol
Exact Mass164.07
IUPAC Name(3-cyclopropylphenyl)methanethiol
SMILESSCc1cccc(C2CC2)c1
InChIInChI=1S/C10H12S/c11-7-8-2-1-3-10(6-8)9-4-5-9/h1-3,6,9,11H,4-5,7H2
InChIKeyBYJZLNWOTVKQRF-UHFFFAOYSA-N
XLogP2.99
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3-cyclohexylphenyl)methanethiol
CID 22000684
2-(3-cyclopropylphenyl)ethanamine
CID 79983898
[3-(sulfanylmethyl)phenyl]methanethiol
CID 586424
(3-cyclopropylphenyl)methanol;ethane;molecular hydrogen
CID 156722104
[3-(2-methoxyoxan-4-yl)phenyl]methanethiol
CID 22246192
N-[(3-cyclopropylphenyl)methyl]cyclopentanamine
CID 79979605
1-(cyclopentyloxymethyl)-3-cyclopropylbenzene
CID 126674869
(3-cycloheptylphenyl)methanol
CID 84672634
1-cyclopentyl-N-[(3-cyclopropylphenyl)methyl]methanamine
CID 79978912
N-[(3-cyclopropylphenyl)methyl]-1-(4-ethylphenyl)methanamine
CID 106899392
1-cyclobutyl-N-[(3-cyclopropylphenyl)methyl]methanamine
CID 79979705
N-[(3-cyclopropylphenyl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79983868

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropylphenyl)methanethiol?
The IUPAC name of (3-cyclopropylphenyl)methanethiol (CID 79977406) is (3-cyclopropylphenyl)methanethiol.
What is the SMILES notation for (3-cyclopropylphenyl)methanethiol?
The canonical SMILES for (3-cyclopropylphenyl)methanethiol is SCc1cccc(C2CC2)c1.
What is the InChIKey of (3-cyclopropylphenyl)methanethiol?
The InChIKey is BYJZLNWOTVKQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12S/c11-7-8-2-1-3-10(6-8)9-4-5-9/h1-3,6,9,11H,4-5,7H2.
What are the key properties of (3-cyclopropylphenyl)methanethiol?
(3-cyclopropylphenyl)methanethiol has a molecular weight of 164.27 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropylphenyl)methanethiol is sourced from PubChem (CID 79977406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).