3-(4-chlorophenyl)-5-methylsulfanylthiophene-2-carbohydrazide

C12H11ClN2OS2 — CID 2767982

IUPAC3-(4-chlorophenyl)-5-methylsulfanylthiophene-2-carbohydrazide
SMILESCSc1cc(-c2ccc(Cl)cc2)c(C(=O)NN)s1
InChIInChI=1S/C12H11ClN2OS2/c1-17-10-6-9(11(18-10)12(16)15-14)7-2-4-8(13)5-3-7/h2-6H,14H2,1H3,(H,15,16)
InChIKeyPRSMBBMHKDXGRP-UHFFFAOYSA-N
MW298.82 g/mol
LogP3.39
Rot. Bonds3

About 3-(4-chlorophenyl)-5-methylsulfanylthiophene-2-carbohydrazide

3-(4-chlorophenyl)-5-methylsulfanylthiophene-2-carbohydrazide (PubChem CID 2767982) has the molecular formula C12H11ClN2OS2 and a molecular weight of 298.82 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-methylsulfanylthiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-methylsulfanylthiophene-2-carbohydrazide
PubChem CID2767982
Molecular FormulaC12H11ClN2OS2
Molecular Weight298.82 g/mol
Exact Mass298.00
IUPAC Name3-(4-chlorophenyl)-5-methylsulfanylthiophene-2-carbohydrazide
SMILESCSc1cc(-c2ccc(Cl)cc2)c(C(=O)NN)s1
InChIInChI=1S/C12H11ClN2OS2/c1-17-10-6-9(11(18-10)12(16)15-14)7-2-4-8(13)5-3-7/h2-6H,14H2,1H3,(H,15,16)
InChIKeyPRSMBBMHKDXGRP-UHFFFAOYSA-N
XLogP3.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 53.39
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-(4-chlorophenyl)-5-methylsulfanylthiophene-2-carbohydrazide?
The IUPAC name of 3-(4-chlorophenyl)-5-methylsulfanylthiophene-2-carbohydrazide (CID 2767982) is 3-(4-chlorophenyl)-5-methylsulfanylthiophene-2-carbohydrazide.
What is the SMILES notation for 3-(4-chlorophenyl)-5-methylsulfanylthiophene-2-carbohydrazide?
The canonical SMILES for 3-(4-chlorophenyl)-5-methylsulfanylthiophene-2-carbohydrazide is CSc1cc(-c2ccc(Cl)cc2)c(C(=O)NN)s1.
What is the InChIKey of 3-(4-chlorophenyl)-5-methylsulfanylthiophene-2-carbohydrazide?
The InChIKey is PRSMBBMHKDXGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2OS2/c1-17-10-6-9(11(18-10)12(16)15-14)7-2-4-8(13)5-3-7/h2-6H,14H2,1H3,(H,15,16).
What are the key properties of 3-(4-chlorophenyl)-5-methylsulfanylthiophene-2-carbohydrazide?
3-(4-chlorophenyl)-5-methylsulfanylthiophene-2-carbohydrazide has a molecular weight of 298.82 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-methylsulfanylthiophene-2-carbohydrazide is sourced from PubChem (CID 2767982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).