3-chloro-6-methoxy-1-benzothiophene-2-carbohydrazide

C10H9ClN2O2S — CID 939755

IUPAC3-chloro-6-methoxy-1-benzothiophene-2-carbohydrazide
SMILESCOc1ccc2c(Cl)c(C(=O)NN)sc2c1
InChIInChI=1S/C10H9ClN2O2S/c1-15-5-2-3-6-7(4-5)16-9(8(6)11)10(14)13-12/h2-4H,12H2,1H3,(H,13,14)
InChIKeySXPAHRIQWOIDAN-UHFFFAOYSA-N
MW256.71 g/mol
LogP2.17
Rot. Bonds2

About 3-chloro-6-methoxy-1-benzothiophene-2-carbohydrazide

3-chloro-6-methoxy-1-benzothiophene-2-carbohydrazide (PubChem CID 939755) has the molecular formula C10H9ClN2O2S and a molecular weight of 256.71 g/mol. Its IUPAC name is 3-chloro-6-methoxy-1-benzothiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-chloro-6-methoxy-1-benzothiophene-2-carbohydrazide
PubChem CID939755
Molecular FormulaC10H9ClN2O2S
Molecular Weight256.71 g/mol
Exact Mass256.01
IUPAC Name3-chloro-6-methoxy-1-benzothiophene-2-carbohydrazide
SMILESCOc1ccc2c(Cl)c(C(=O)NN)sc2c1
InChIInChI=1S/C10H9ClN2O2S/c1-15-5-2-3-6-7(4-5)16-9(8(6)11)10(14)13-12/h2-4H,12H2,1H3,(H,13,14)
InChIKeySXPAHRIQWOIDAN-UHFFFAOYSA-N
XLogP2.17
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methoxy-1-benzothiophene-2-carbohydrazide?
The IUPAC name of 3-chloro-6-methoxy-1-benzothiophene-2-carbohydrazide (CID 939755) is 3-chloro-6-methoxy-1-benzothiophene-2-carbohydrazide.
What is the SMILES notation for 3-chloro-6-methoxy-1-benzothiophene-2-carbohydrazide?
The canonical SMILES for 3-chloro-6-methoxy-1-benzothiophene-2-carbohydrazide is COc1ccc2c(Cl)c(C(=O)NN)sc2c1.
What is the InChIKey of 3-chloro-6-methoxy-1-benzothiophene-2-carbohydrazide?
The InChIKey is SXPAHRIQWOIDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2S/c1-15-5-2-3-6-7(4-5)16-9(8(6)11)10(14)13-12/h2-4H,12H2,1H3,(H,13,14).
What are the key properties of 3-chloro-6-methoxy-1-benzothiophene-2-carbohydrazide?
3-chloro-6-methoxy-1-benzothiophene-2-carbohydrazide has a molecular weight of 256.71 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-methoxy-1-benzothiophene-2-carbohydrazide is sourced from PubChem (CID 939755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).