2,3,4,9-tetrahydro-1H-carbazole-1-thiol

C12H13NS — CID 138599371

IUPAC2,3,4,9-tetrahydro-1H-carbazole-1-thiol
SMILESSC1CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C12H13NS/c14-11-7-3-5-9-8-4-1-2-6-10(8)13-12(9)11/h1-2,4,6,11,13-14H,3,5,7H2
InChIKeyOAPZGHIIPOWFOS-UHFFFAOYSA-N
MW203.31 g/mol
LogP3.48
Rot. Bonds

About 2,3,4,9-tetrahydro-1H-carbazole-1-thiol

2,3,4,9-tetrahydro-1H-carbazole-1-thiol (PubChem CID 138599371) has the molecular formula C12H13NS and a molecular weight of 203.31 g/mol. Its IUPAC name is 2,3,4,9-tetrahydro-1H-carbazole-1-thiol.

Molecular Properties

Compound Name2,3,4,9-tetrahydro-1H-carbazole-1-thiol
PubChem CID138599371
Molecular FormulaC12H13NS
Molecular Weight203.31 g/mol
Exact Mass203.08
IUPAC Name2,3,4,9-tetrahydro-1H-carbazole-1-thiol
SMILESSC1CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C12H13NS/c14-11-7-3-5-9-8-4-1-2-6-10(8)13-12(9)11/h1-2,4,6,11,13-14H,3,5,7H2
InChIKeyOAPZGHIIPOWFOS-UHFFFAOYSA-N
XLogP3.48
TPSA15.79 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-2,3,4,9-tetrahydro-1H-carbazole
CID 20568385
1-cyclobutyl-2,3,4,9-tetrahydro-1H-carbazole
CID 91153684
[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]methanamine
CID 26342575
1-(1-methylcyclobutyl)-2,3,4,9-tetrahydro-1H-carbazole
CID 173177273
N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 11219296
N-cyclopentyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65333592
1-(1-methylcyclodecyl)-2,3,4,9-tetrahydro-1H-carbazole
CID 91059771
phenyl(2,3,4,9-tetrahydro-1H-carbazol-1-yl)diazene
CID 139602071
N-benzyl-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 159520401
N-(2-chlorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65333996
N-(2,2-dimethylpropyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65334003
N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]cyclopropanecarboxamide
CID 124879022

Frequently Asked Questions

What is the IUPAC name of 2,3,4,9-tetrahydro-1H-carbazole-1-thiol?
The IUPAC name of 2,3,4,9-tetrahydro-1H-carbazole-1-thiol (CID 138599371) is 2,3,4,9-tetrahydro-1H-carbazole-1-thiol.
What is the SMILES notation for 2,3,4,9-tetrahydro-1H-carbazole-1-thiol?
The canonical SMILES for 2,3,4,9-tetrahydro-1H-carbazole-1-thiol is SC1CCCc2c1[nH]c1ccccc21.
What is the InChIKey of 2,3,4,9-tetrahydro-1H-carbazole-1-thiol?
The InChIKey is OAPZGHIIPOWFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NS/c14-11-7-3-5-9-8-4-1-2-6-10(8)13-12(9)11/h1-2,4,6,11,13-14H,3,5,7H2.
What are the key properties of 2,3,4,9-tetrahydro-1H-carbazole-1-thiol?
2,3,4,9-tetrahydro-1H-carbazole-1-thiol has a molecular weight of 203.31 g/mol, XLogP of 3.48, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,9-tetrahydro-1H-carbazole-1-thiol is sourced from PubChem (CID 138599371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).