(4-methylsulfanylphenyl)methanethiol

C8H10S2 — CID 14625012

IUPAC(4-methylsulfanylphenyl)methanethiol
SMILESCSc1ccc(CS)cc1
InChIInChI=1S/C8H10S2/c1-10-8-4-2-7(6-9)3-5-8/h2-5,9H,6H2,1H3
InChIKeyBCKGLINYHWHGFL-UHFFFAOYSA-N
MW170.30 g/mol
LogP2.84
Rot. Bonds2

About (4-methylsulfanylphenyl)methanethiol

(4-methylsulfanylphenyl)methanethiol (PubChem CID 14625012) has the molecular formula C8H10S2 and a molecular weight of 170.30 g/mol. Its IUPAC name is (4-methylsulfanylphenyl)methanethiol.

Molecular Properties

Compound Name(4-methylsulfanylphenyl)methanethiol
PubChem CID14625012
Molecular FormulaC8H10S2
Molecular Weight170.30 g/mol
Exact Mass170.02
IUPAC Name(4-methylsulfanylphenyl)methanethiol
SMILESCSc1ccc(CS)cc1
InChIInChI=1S/C8H10S2/c1-10-8-4-2-7(6-9)3-5-8/h2-5,9H,6H2,1H3
InChIKeyBCKGLINYHWHGFL-UHFFFAOYSA-N
XLogP2.84
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-[2-[3,5-bis[2-(4-methylsulfanylphenyl)phenyl]phenyl]phenyl]phenyl]methanethiol
CID 89041425
1-ethyl-4-methylsulfanylbenzene
CID 142218139
1-(bromomethyl)-4-methylsulfanylbenzene
CID 11367930
3-[2-(4-methylsulfanylphenyl)-2-oxoacetyl]oxybutan-2-yl 2-oxo-2-[4-(sulfanylmethyl)phenyl]acetate
CID 59163538
[2-(4-methylsulfanylphenyl)ethylamino]methanethiol
CID 115228282
CID 15984391
CID 15984391
1-ethyl-4-methylsulfanylbenzene;methanamine
CID 168997767
1-benzyl-4-methylsulfanylbenzene
CID 23524923
1,4-bis(methylsulfanyl)benzene;methanol
CID 143321779
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-sulfanylpropanamide
CID 115167959
[4-[[[4-[[[4-[[[4-[[[4-[[[4-[[[4-(methylsulfanylmethyl)phenyl]methyldisulfanyl]methyl]phenyl]methyldisulfanyl]methyl]phenyl]methyldisulfanyl]methyl]phenyl]methyldisulfanyl]methyl]phenyl]methyldisulfanyl]methyl]phenyl]methyldisulfanyl]methyl]phenyl]methanethiol
CID 121337479
1-methylsulfanyl-4-prop-2-enylbenzene
CID 2760094

Frequently Asked Questions

What is the IUPAC name of (4-methylsulfanylphenyl)methanethiol?
The IUPAC name of (4-methylsulfanylphenyl)methanethiol (CID 14625012) is (4-methylsulfanylphenyl)methanethiol.
What is the SMILES notation for (4-methylsulfanylphenyl)methanethiol?
The canonical SMILES for (4-methylsulfanylphenyl)methanethiol is CSc1ccc(CS)cc1.
What is the InChIKey of (4-methylsulfanylphenyl)methanethiol?
The InChIKey is BCKGLINYHWHGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10S2/c1-10-8-4-2-7(6-9)3-5-8/h2-5,9H,6H2,1H3.
What are the key properties of (4-methylsulfanylphenyl)methanethiol?
(4-methylsulfanylphenyl)methanethiol has a molecular weight of 170.30 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfanylphenyl)methanethiol is sourced from PubChem (CID 14625012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).