3,4-dihydro-2H-quinoline-1-carbothioamide

C10H12N2S — CID 914740

IUPAC3,4-dihydro-2H-quinoline-1-carbothioamide
SMILESNC(=S)N1CCCc2ccccc21
InChIInChI=1S/C10H12N2S/c11-10(13)12-7-3-5-8-4-1-2-6-9(8)12/h1-2,4,6H,3,5,7H2,(H2,11,13)
InChIKeyHVAIRLQMYATCKN-UHFFFAOYSA-N
MW192.29 g/mol
LogP1.68
Rot. Bonds

About 3,4-dihydro-2H-quinoline-1-carbothioamide

3,4-dihydro-2H-quinoline-1-carbothioamide (PubChem CID 914740) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinoline-1-carbothioamide.

Molecular Properties

Compound Name3,4-dihydro-2H-quinoline-1-carbothioamide
PubChem CID914740
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name3,4-dihydro-2H-quinoline-1-carbothioamide
SMILESNC(=S)N1CCCc2ccccc21
InChIInChI=1S/C10H12N2S/c11-10(13)12-7-3-5-8-4-1-2-6-9(8)12/h1-2,4,6H,3,5,7H2,(H2,11,13)
InChIKeyHVAIRLQMYATCKN-UHFFFAOYSA-N
XLogP1.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-Methylphenyl)thiourea
CID 2787703
1,2,3,4-Tetrahydroquinoline
CID 69460
3,4-Dihydro-4,4,6-trimethyl-1-(2-methylphenyl)-2(1H)-pyrimidinethione
CID 3034175
N-(2-Phenylethyl)-N'-phenylthiourea
CID 2760335
Krm-iii
CID 736689
1,5-diphenyl-1H-imidazole-2-thiol
CID 807871
2-Methyl-1,2,3,4-tetrahydroquinoline
CID 96289
1'H-spiro[cyclopentane-1,2'-quinazoline]-4'-thiol
CID 686361
1-Benzyl-3-phenyl-2-thiourea
CID 668300
TC3.6
CID 3008080
N-(3-methylphenyl)-1-piperidinecarbothioamide
CID 723471
5-Ethyl-1-(2-methylphenyl)-1,3,5-triazinane-2-thione
CID 751652

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinoline-1-carbothioamide?
The IUPAC name of 3,4-dihydro-2H-quinoline-1-carbothioamide (CID 914740) is 3,4-dihydro-2H-quinoline-1-carbothioamide.
What is the SMILES notation for 3,4-dihydro-2H-quinoline-1-carbothioamide?
The canonical SMILES for 3,4-dihydro-2H-quinoline-1-carbothioamide is NC(=S)N1CCCc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-quinoline-1-carbothioamide?
The InChIKey is HVAIRLQMYATCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c11-10(13)12-7-3-5-8-4-1-2-6-9(8)12/h1-2,4,6H,3,5,7H2,(H2,11,13).
What are the key properties of 3,4-dihydro-2H-quinoline-1-carbothioamide?
3,4-dihydro-2H-quinoline-1-carbothioamide has a molecular weight of 192.29 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinoline-1-carbothioamide is sourced from PubChem (CID 914740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).