ethane;(2-propylphenyl)methanethiol

C12H20S — CID 142320785

IUPACethane;(2-propylphenyl)methanethiol
SMILESCC.CCCc1ccccc1CS
InChIInChI=1S/C10H14S.C2H6/c1-2-5-9-6-3-4-7-10(9)8-11;1-2/h3-4,6-7,11H,2,5,8H2,1H3;1-2H3
InChIKeyJGWDMTGAVSEGBQ-UHFFFAOYSA-N
MW196.36 g/mol
LogP4.10
Rot. Bonds3

About ethane;(2-propylphenyl)methanethiol

ethane;(2-propylphenyl)methanethiol (PubChem CID 142320785) has the molecular formula C12H20S and a molecular weight of 196.36 g/mol. Its IUPAC name is ethane;(2-propylphenyl)methanethiol.

Molecular Properties

Compound Nameethane;(2-propylphenyl)methanethiol
PubChem CID142320785
Molecular FormulaC12H20S
Molecular Weight196.36 g/mol
Exact Mass196.13
IUPAC Nameethane;(2-propylphenyl)methanethiol
SMILESCC.CCCc1ccccc1CS
InChIInChI=1S/C10H14S.C2H6/c1-2-5-9-6-3-4-7-10(9)8-11;1-2/h3-4,6-7,11H,2,5,8H2,1H3;1-2H3
InChIKeyJGWDMTGAVSEGBQ-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.36
LogP ≤ 54.10
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

(2-octylphenyl)methanethiol
CID 173166985
1-(2-bromoethyl)-2-propylbenzene
CID 70218831
ethane;(2-methylphenyl)methanethiol
CID 142152334
N,N-dimethyl-1-(2-propylphenyl)methanamine
CID 12709346
1-prop-2-enyl-2-propylbenzene
CID 12585186
2-(2-propylphenyl)acetic acid
CID 46897017
2-tert-butylperoxy-2-methylpropane;1,2-dipropylbenzene
CID 162101368
1-but-2-enyl-2-propylbenzene
CID 139617865
1-hept-3-enyl-2-propylbenzene
CID 91473483
ethane;N-(2-propylphenyl)acetamide
CID 142804217
ethane;1-fluoro-4-[(2-propylphenyl)methyl]benzene
CID 171834345
CID 159940559
CID 159940559

Frequently Asked Questions

What is the IUPAC name of ethane;(2-propylphenyl)methanethiol?
The IUPAC name of ethane;(2-propylphenyl)methanethiol (CID 142320785) is ethane;(2-propylphenyl)methanethiol.
What is the SMILES notation for ethane;(2-propylphenyl)methanethiol?
The canonical SMILES for ethane;(2-propylphenyl)methanethiol is CC.CCCc1ccccc1CS.
What is the InChIKey of ethane;(2-propylphenyl)methanethiol?
The InChIKey is JGWDMTGAVSEGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14S.C2H6/c1-2-5-9-6-3-4-7-10(9)8-11;1-2/h3-4,6-7,11H,2,5,8H2,1H3;1-2H3.
What are the key properties of ethane;(2-propylphenyl)methanethiol?
ethane;(2-propylphenyl)methanethiol has a molecular weight of 196.36 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2-propylphenyl)methanethiol is sourced from PubChem (CID 142320785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).