9H-carbazole-1-carbothialdehyde

C13H9NS — CID 87924889

IUPAC9H-carbazole-1-carbothialdehyde
SMILESS=Cc1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C13H9NS/c15-8-9-4-3-6-11-10-5-1-2-7-12(10)14-13(9)11/h1-8,14H
InChIKeyDRGOTPNGUHOYPE-UHFFFAOYSA-N
MW211.29 g/mol
LogP3.67
Rot. Bonds1

About 9H-carbazole-1-carbothialdehyde

9H-carbazole-1-carbothialdehyde (PubChem CID 87924889) has the molecular formula C13H9NS and a molecular weight of 211.29 g/mol. Its IUPAC name is 9H-carbazole-1-carbothialdehyde.

Molecular Properties

Compound Name9H-carbazole-1-carbothialdehyde
PubChem CID87924889
Molecular FormulaC13H9NS
Molecular Weight211.29 g/mol
Exact Mass211.05
IUPAC Name9H-carbazole-1-carbothialdehyde
SMILESS=Cc1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C13H9NS/c15-8-9-4-3-6-11-10-5-1-2-7-12(10)14-13(9)11/h1-8,14H
InChIKeyDRGOTPNGUHOYPE-UHFFFAOYSA-N
XLogP3.67
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

9H-carbazole-1-carbaldehyde
CID 11745551
1-ethenyl-9H-carbazole;prop-2-enoic acid
CID 167561200
1-[2-(9H-carbazol-1-yl)phenyl]-9H-carbazole
CID 66618059
9H-carbazole;methanedithioic acid
CID 158299126
methyl (E)-3-(9H-carbazol-1-yl)prop-2-enoate
CID 162411869
9H-carbazole
CID 66668984
1-[4-[4-[4-[4-(9H-carbazol-1-yl)phenyl]phenyl]phenyl]phenyl]-9H-carbazole
CID 175958773
1-buta-1,3-diynyl-9H-carbazole
CID 54113864
9H-carbazol-1-ylmethanol
CID 10987211
N-(9H-carbazol-1-ylmethylideneamino)pyrazol-1-amine
CID 69170506
bis(9H-carbazole);platinum(2+)
CID 175826437
9H-carbazole;copper
CID 159878189

Frequently Asked Questions

What is the IUPAC name of 9H-carbazole-1-carbothialdehyde?
The IUPAC name of 9H-carbazole-1-carbothialdehyde (CID 87924889) is 9H-carbazole-1-carbothialdehyde.
What is the SMILES notation for 9H-carbazole-1-carbothialdehyde?
The canonical SMILES for 9H-carbazole-1-carbothialdehyde is S=Cc1cccc2c1[nH]c1ccccc12.
What is the InChIKey of 9H-carbazole-1-carbothialdehyde?
The InChIKey is DRGOTPNGUHOYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NS/c15-8-9-4-3-6-11-10-5-1-2-7-12(10)14-13(9)11/h1-8,14H.
What are the key properties of 9H-carbazole-1-carbothialdehyde?
9H-carbazole-1-carbothialdehyde has a molecular weight of 211.29 g/mol, XLogP of 3.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-carbazole-1-carbothialdehyde is sourced from PubChem (CID 87924889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).