2-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)benzenethiol

C12H15NS — CID 143151031

IUPAC2-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)benzenethiol
SMILESCc1cccc(C2=CCNCC2)c1S
InChIInChI=1S/C12H15NS/c1-9-3-2-4-11(12(9)14)10-5-7-13-8-6-10/h2-5,13-14H,6-8H2,1H3
InChIKeyDFPLDZPQZZVAKY-UHFFFAOYSA-N
MW205.33 g/mol
LogP2.66
Rot. Bonds1

About 2-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)benzenethiol

2-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)benzenethiol (PubChem CID 143151031) has the molecular formula C12H15NS and a molecular weight of 205.33 g/mol. Its IUPAC name is 2-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)benzenethiol.

Molecular Properties

Compound Name2-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)benzenethiol
PubChem CID143151031
Molecular FormulaC12H15NS
Molecular Weight205.33 g/mol
Exact Mass205.09
IUPAC Name2-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)benzenethiol
SMILESCc1cccc(C2=CCNCC2)c1S
InChIInChI=1S/C12H15NS/c1-9-3-2-4-11(12(9)14)10-5-7-13-8-6-10/h2-5,13-14H,6-8H2,1H3
InChIKeyDFPLDZPQZZVAKY-UHFFFAOYSA-N
XLogP2.66
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 11310393
4-(2-methoxyphenyl)-1,2,3,6-tetrahydropyridine;hydrochloride
CID 71742594
4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;dihydrochloride
CID 71758030
7-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 18797218
1-(1,2,3,6-tetrahydropyridin-4-yl)anthracene-9,10-dione;hydrochloride
CID 154697558
4-(2-methoxy-3,4-dimethylphenyl)-1,2,3,6-tetrahydropyridine
CID 103434255
3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyridin-2-one
CID 118303362
5-(1,2,3,6-tetrahydropyridin-4-yl)isoquinoline
CID 62813158
4-(3-methylthiophen-2-yl)-1,2,3,6-tetrahydropyridine
CID 23149891
N,N-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)aniline;hydrochloride
CID 82027061
4-[2-(2-bromophenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine
CID 11163779
4-(1,2,3,6-tetrahydropyridin-4-yl)benzene-1,3-diol
CID 139724595

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)benzenethiol?
The IUPAC name of 2-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)benzenethiol (CID 143151031) is 2-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)benzenethiol.
What is the SMILES notation for 2-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)benzenethiol?
The canonical SMILES for 2-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)benzenethiol is Cc1cccc(C2=CCNCC2)c1S.
What is the InChIKey of 2-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)benzenethiol?
The InChIKey is DFPLDZPQZZVAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS/c1-9-3-2-4-11(12(9)14)10-5-7-13-8-6-10/h2-5,13-14H,6-8H2,1H3.
What are the key properties of 2-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)benzenethiol?
2-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)benzenethiol has a molecular weight of 205.33 g/mol, XLogP of 2.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)benzenethiol is sourced from PubChem (CID 143151031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).