8-methyl-1,2,3,4-tetrahydronaphthalene-1-thiol

C11H14S — CID 153397190

IUPAC8-methyl-1,2,3,4-tetrahydronaphthalene-1-thiol
SMILESCc1cccc2c1C(S)CCC2
InChIInChI=1S/C11H14S/c1-8-4-2-5-9-6-3-7-10(12)11(8)9/h2,4-5,10,12H,3,6-7H2,1H3
InChIKeyYBQVEIXKSMUZAG-UHFFFAOYSA-N
MW178.30 g/mol
LogP3.30
Rot. Bonds

About 8-methyl-1,2,3,4-tetrahydronaphthalene-1-thiol

8-methyl-1,2,3,4-tetrahydronaphthalene-1-thiol (PubChem CID 153397190) has the molecular formula C11H14S and a molecular weight of 178.30 g/mol. Its IUPAC name is 8-methyl-1,2,3,4-tetrahydronaphthalene-1-thiol.

Molecular Properties

Compound Name8-methyl-1,2,3,4-tetrahydronaphthalene-1-thiol
PubChem CID153397190
Molecular FormulaC11H14S
Molecular Weight178.30 g/mol
Exact Mass178.08
IUPAC Name8-methyl-1,2,3,4-tetrahydronaphthalene-1-thiol
SMILESCc1cccc2c1C(S)CCC2
InChIInChI=1S/C11H14S/c1-8-4-2-5-9-6-3-7-10(12)11(8)9/h2,4-5,10,12H,3,6-7H2,1H3
InChIKeyYBQVEIXKSMUZAG-UHFFFAOYSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 53.30
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

8-methyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 12778774
2-(8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-ol
CID 105456735
2-(8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 83829383
methyl 8-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxylate
CID 12778765
2-(8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine
CID 105469179
CID 59356705
CID 59356705
1-ethenyl-7-methyl-2,3-dihydro-1H-indene
CID 13253200
2-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yl)phenol
CID 13136042
2-cyclopropyl-3-methylbenzenethiol
CID 174690891
2-(7-methyl-2,3-dihydro-1H-inden-1-yl)pyrrolidine
CID 105453860
(2S)-2-(9-methyl-1,3,4,5-tetrahydro-2-benzoxepin-1-yl)pyrrolidine
CID 175052060
(3aR)-3,3a,4,5-tetrahydroacenaphthylene
CID 95734729

Frequently Asked Questions

What is the IUPAC name of 8-methyl-1,2,3,4-tetrahydronaphthalene-1-thiol?
The IUPAC name of 8-methyl-1,2,3,4-tetrahydronaphthalene-1-thiol (CID 153397190) is 8-methyl-1,2,3,4-tetrahydronaphthalene-1-thiol.
What is the SMILES notation for 8-methyl-1,2,3,4-tetrahydronaphthalene-1-thiol?
The canonical SMILES for 8-methyl-1,2,3,4-tetrahydronaphthalene-1-thiol is Cc1cccc2c1C(S)CCC2.
What is the InChIKey of 8-methyl-1,2,3,4-tetrahydronaphthalene-1-thiol?
The InChIKey is YBQVEIXKSMUZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14S/c1-8-4-2-5-9-6-3-7-10(12)11(8)9/h2,4-5,10,12H,3,6-7H2,1H3.
What are the key properties of 8-methyl-1,2,3,4-tetrahydronaphthalene-1-thiol?
8-methyl-1,2,3,4-tetrahydronaphthalene-1-thiol has a molecular weight of 178.30 g/mol, XLogP of 3.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1,2,3,4-tetrahydronaphthalene-1-thiol is sourced from PubChem (CID 153397190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).