3-(9H-carbazol-1-yl)benzenecarbothioamide

C19H14N2S — CID 178117209

IUPAC3-(9H-carbazol-1-yl)benzenecarbothioamide
SMILESNC(=S)c1cccc(-c2cccc3c2[nH]c2ccccc23)c1
InChIInChI=1S/C19H14N2S/c20-19(22)13-6-3-5-12(11-13)14-8-4-9-16-15-7-1-2-10-17(15)21-18(14)16/h1-11,21H,(H2,20,22)
InChIKeyJMOVBLYHXHVXLF-UHFFFAOYSA-N
MW302.40 g/mol
LogP4.62
Rot. Bonds2

About 3-(9H-carbazol-1-yl)benzenecarbothioamide

3-(9H-carbazol-1-yl)benzenecarbothioamide (PubChem CID 178117209) has the molecular formula C19H14N2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 3-(9H-carbazol-1-yl)benzenecarbothioamide.

Molecular Properties

Compound Name3-(9H-carbazol-1-yl)benzenecarbothioamide
PubChem CID178117209
Molecular FormulaC19H14N2S
Molecular Weight302.40 g/mol
Exact Mass302.09
IUPAC Name3-(9H-carbazol-1-yl)benzenecarbothioamide
SMILESNC(=S)c1cccc(-c2cccc3c2[nH]c2ccccc23)c1
InChIInChI=1S/C19H14N2S/c20-19(22)13-6-3-5-12(11-13)14-8-4-9-16-15-7-1-2-10-17(15)21-18(14)16/h1-11,21H,(H2,20,22)
InChIKeyJMOVBLYHXHVXLF-UHFFFAOYSA-N
XLogP4.62
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(9H-carbazol-1-yl)aniline
CID 67501137
1-[4-[4-[4-[4-(9H-carbazol-1-yl)phenyl]phenyl]phenyl]phenyl]-9H-carbazole
CID 175958773
1-[4-[1-[4-(9H-carbazol-1-yl)phenyl]-2,2-diphenylethenyl]phenyl]-9H-carbazole
CID 155666000
1-(3,4-diphenylphenyl)-9H-carbazole
CID 141489388
1-(3-triphenylen-2-ylphenyl)-9H-carbazole
CID 129197617
1-[2-(9H-carbazol-1-yl)phenyl]-9H-carbazole
CID 66618059
1-[4-[4-(9H-carbazol-1-yl)-2-methylphenyl]-3-methylphenyl]-9H-carbazole
CID 159544666
1-(3-bromo-4-phenylphenyl)-9H-carbazole
CID 175063940
3-(9H-carbazol-1-yl)-N,N-bis[4-(9H-carbazol-1-yl)phenyl]aniline
CID 141212248
1-(3-pyridin-3-ylphenyl)-9H-carbazole
CID 154284139
1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-carbazole
CID 155673306
diphenylphosphane;1-phenyl-9H-carbazole
CID 158040187

Frequently Asked Questions

What is the IUPAC name of 3-(9H-carbazol-1-yl)benzenecarbothioamide?
The IUPAC name of 3-(9H-carbazol-1-yl)benzenecarbothioamide (CID 178117209) is 3-(9H-carbazol-1-yl)benzenecarbothioamide.
What is the SMILES notation for 3-(9H-carbazol-1-yl)benzenecarbothioamide?
The canonical SMILES for 3-(9H-carbazol-1-yl)benzenecarbothioamide is NC(=S)c1cccc(-c2cccc3c2[nH]c2ccccc23)c1.
What is the InChIKey of 3-(9H-carbazol-1-yl)benzenecarbothioamide?
The InChIKey is JMOVBLYHXHVXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2S/c20-19(22)13-6-3-5-12(11-13)14-8-4-9-16-15-7-1-2-10-17(15)21-18(14)16/h1-11,21H,(H2,20,22).
What are the key properties of 3-(9H-carbazol-1-yl)benzenecarbothioamide?
3-(9H-carbazol-1-yl)benzenecarbothioamide has a molecular weight of 302.40 g/mol, XLogP of 4.62, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-carbazol-1-yl)benzenecarbothioamide is sourced from PubChem (CID 178117209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).