3-(thiophen-2-ylsulfanylmethyl)benzohydrazide

C12H12N2OS2 — CID 63580079

IUPAC3-(thiophen-2-ylsulfanylmethyl)benzohydrazide
SMILESNNC(=O)c1cccc(CSc2cccs2)c1
InChIInChI=1S/C12H12N2OS2/c13-14-12(15)10-4-1-3-9(7-10)8-17-11-5-2-6-16-11/h1-7H,8,13H2,(H,14,15)
InChIKeyDFDDFDBRINLVCH-UHFFFAOYSA-N
MW264.38 g/mol
LogP2.64
Rot. Bonds4

About 3-(thiophen-2-ylsulfanylmethyl)benzohydrazide

3-(thiophen-2-ylsulfanylmethyl)benzohydrazide (PubChem CID 63580079) has the molecular formula C12H12N2OS2 and a molecular weight of 264.38 g/mol. Its IUPAC name is 3-(thiophen-2-ylsulfanylmethyl)benzohydrazide.

Molecular Properties

Compound Name3-(thiophen-2-ylsulfanylmethyl)benzohydrazide
PubChem CID63580079
Molecular FormulaC12H12N2OS2
Molecular Weight264.38 g/mol
Exact Mass264.04
IUPAC Name3-(thiophen-2-ylsulfanylmethyl)benzohydrazide
SMILESNNC(=O)c1cccc(CSc2cccs2)c1
InChIInChI=1S/C12H12N2OS2/c13-14-12(15)10-4-1-3-9(7-10)8-17-11-5-2-6-16-11/h1-7H,8,13H2,(H,14,15)
InChIKeyDFDDFDBRINLVCH-UHFFFAOYSA-N
XLogP2.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 52.64
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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Related Compounds

3-[(2-hydroxyphenyl)sulfanylmethyl]benzohydrazide
CID 55213516
3-(pyrimidin-2-ylsulfanylmethyl)benzohydrazide
CID 63581182
3-[(3-methylphenyl)sulfanylmethyl]benzohydrazide
CID 63581632
3-(thiophen-2-ylsulfanylmethyl)thiophene-2-carbohydrazide
CID 63639235
3-[(4-propan-2-ylphenyl)sulfanylmethyl]benzohydrazide
CID 63581336
3-[(4-amino-3-methylphenyl)sulfanylmethyl]benzohydrazide
CID 79148671
3-[(2-amino-4-chlorophenyl)sulfanylmethyl]benzohydrazide
CID 63582189
3-[(2-amino-4-bromophenyl)sulfanylmethyl]benzohydrazide
CID 63589210
3-(3-aminopropylsulfanylmethyl)benzohydrazide
CID 66219490
3-(1-aminopropan-2-ylsulfanylmethyl)benzohydrazide
CID 66242468
3-(diethylaminomethyl)benzohydrazide
CID 63571195
3-[(2-amino-5-methoxyphenyl)sulfanylmethyl]benzohydrazide
CID 79515162

Frequently Asked Questions

What is the IUPAC name of 3-(thiophen-2-ylsulfanylmethyl)benzohydrazide?
The IUPAC name of 3-(thiophen-2-ylsulfanylmethyl)benzohydrazide (CID 63580079) is 3-(thiophen-2-ylsulfanylmethyl)benzohydrazide.
What is the SMILES notation for 3-(thiophen-2-ylsulfanylmethyl)benzohydrazide?
The canonical SMILES for 3-(thiophen-2-ylsulfanylmethyl)benzohydrazide is NNC(=O)c1cccc(CSc2cccs2)c1.
What is the InChIKey of 3-(thiophen-2-ylsulfanylmethyl)benzohydrazide?
The InChIKey is DFDDFDBRINLVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS2/c13-14-12(15)10-4-1-3-9(7-10)8-17-11-5-2-6-16-11/h1-7H,8,13H2,(H,14,15).
What are the key properties of 3-(thiophen-2-ylsulfanylmethyl)benzohydrazide?
3-(thiophen-2-ylsulfanylmethyl)benzohydrazide has a molecular weight of 264.38 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiophen-2-ylsulfanylmethyl)benzohydrazide is sourced from PubChem (CID 63580079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).