3,4-dichloro-1-benzothiophene-2-carbohydrazide

C9H6Cl2N2OS — CID 874733

IUPAC3,4-dichloro-1-benzothiophene-2-carbohydrazide
SMILESNNC(=O)c1sc2cccc(Cl)c2c1Cl
InChIInChI=1S/C9H6Cl2N2OS/c10-4-2-1-3-5-6(4)7(11)8(15-5)9(14)13-12/h1-3H,12H2,(H,13,14)
InChIKeyHSSHUDKWJRJKPV-UHFFFAOYSA-N
MW261.13 g/mol
LogP2.81
Rot. Bonds1

About 3,4-dichloro-1-benzothiophene-2-carbohydrazide

3,4-dichloro-1-benzothiophene-2-carbohydrazide (PubChem CID 874733) has the molecular formula C9H6Cl2N2OS and a molecular weight of 261.13 g/mol. Its IUPAC name is 3,4-dichloro-1-benzothiophene-2-carbohydrazide.

Molecular Properties

Compound Name3,4-dichloro-1-benzothiophene-2-carbohydrazide
PubChem CID874733
Molecular FormulaC9H6Cl2N2OS
Molecular Weight261.13 g/mol
Exact Mass259.96
IUPAC Name3,4-dichloro-1-benzothiophene-2-carbohydrazide
SMILESNNC(=O)c1sc2cccc(Cl)c2c1Cl
InChIInChI=1S/C9H6Cl2N2OS/c10-4-2-1-3-5-6(4)7(11)8(15-5)9(14)13-12/h1-3H,12H2,(H,13,14)
InChIKeyHSSHUDKWJRJKPV-UHFFFAOYSA-N
XLogP2.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.13
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-Chloro-1-benzothiophene-2-carbohydrazide
CID 606925
3-Chlorobenzothiophene-2-Carbohydroxamic Acid
CID 801008
1-Benzothiophene-2-carbohydrazide
CID 519437
3-Chlorobenzo(b)thiophene-2-carboxamide
CID 607052
N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]thiophene-2-carbohydrazide
CID 2210626
2-chloro-N'-(2-thiophen-3-ylacetyl)benzohydrazide
CID 24982724
4-chloranyl-~{N}-oxidanyl-1-benzothiophene-2-carboxamide
CID 71714528
3-chloro-N'-cyclopentylidene-1-benzothiophene-2-carbohydrazide
CID 819268
N'-[2-(2-chloro-6-fluorophenyl)acetyl]thiophene-2-carbohydrazide
CID 4791214
3-Chloro-6-fluoro-1-benzothiophene-2-carboxamide
CID 874691
3,6-Dichloro-1-benzothiophene-2-carboxamide
CID 21822810
6-chloro-N-hydroxy-1-benzothiophene-2-carboxamide
CID 24860341

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-1-benzothiophene-2-carbohydrazide?
The IUPAC name of 3,4-dichloro-1-benzothiophene-2-carbohydrazide (CID 874733) is 3,4-dichloro-1-benzothiophene-2-carbohydrazide.
What is the SMILES notation for 3,4-dichloro-1-benzothiophene-2-carbohydrazide?
The canonical SMILES for 3,4-dichloro-1-benzothiophene-2-carbohydrazide is NNC(=O)c1sc2cccc(Cl)c2c1Cl.
What is the InChIKey of 3,4-dichloro-1-benzothiophene-2-carbohydrazide?
The InChIKey is HSSHUDKWJRJKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2OS/c10-4-2-1-3-5-6(4)7(11)8(15-5)9(14)13-12/h1-3H,12H2,(H,13,14).
What are the key properties of 3,4-dichloro-1-benzothiophene-2-carbohydrazide?
3,4-dichloro-1-benzothiophene-2-carbohydrazide has a molecular weight of 261.13 g/mol, XLogP of 2.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-1-benzothiophene-2-carbohydrazide is sourced from PubChem (CID 874733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).