3-(sulfanylmethyl)-1-benzothiophene-2-carbohydrazide

C10H10N2OS2 — CID 63590827

IUPAC3-(sulfanylmethyl)-1-benzothiophene-2-carbohydrazide
SMILESNNC(=O)c1sc2ccccc2c1CS
InChIInChI=1S/C10H10N2OS2/c11-12-10(13)9-7(5-14)6-3-1-2-4-8(6)15-9/h1-4,14H,5,11H2,(H,12,13)
InChIKeyLZRJTMXZWXEULP-UHFFFAOYSA-N
MW238.34 g/mol
LogP1.93
Rot. Bonds2

About 3-(sulfanylmethyl)-1-benzothiophene-2-carbohydrazide

3-(sulfanylmethyl)-1-benzothiophene-2-carbohydrazide (PubChem CID 63590827) has the molecular formula C10H10N2OS2 and a molecular weight of 238.34 g/mol. Its IUPAC name is 3-(sulfanylmethyl)-1-benzothiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-(sulfanylmethyl)-1-benzothiophene-2-carbohydrazide
PubChem CID63590827
Molecular FormulaC10H10N2OS2
Molecular Weight238.34 g/mol
Exact Mass238.02
IUPAC Name3-(sulfanylmethyl)-1-benzothiophene-2-carbohydrazide
SMILESNNC(=O)c1sc2ccccc2c1CS
InChIInChI=1S/C10H10N2OS2/c11-12-10(13)9-7(5-14)6-3-1-2-4-8(6)15-9/h1-4,14H,5,11H2,(H,12,13)
InChIKeyLZRJTMXZWXEULP-UHFFFAOYSA-N
XLogP1.93
TPSA55.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 51.93
H-Bond Donors ≤ 53
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'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-chloro-1-benzothiophene-2-carbohydrazide
CID 606925
3-(2-aminoethylsulfanylmethyl)-1-benzothiophene-2-carbohydrazide
CID 63582377
3-(4-methylpentan-2-yloxymethyl)-1-benzothiophene-2-carbohydrazide
CID 63576974
3-(3-methylbutan-2-ylsulfanylmethyl)-1-benzothiophene-2-carbohydrazide
CID 107761003
3-[[methyl(2-methylbutyl)amino]methyl]-1-benzothiophene-2-carbohydrazide
CID 63571772
3-[[2,2-dimethylpropyl(methyl)amino]methyl]-1-benzothiophene-2-carbohydrazide
CID 63577482
3-[[methyl(pentan-3-yl)amino]methyl]-1-benzothiophene-2-carbohydrazide
CID 63574249
3-(morpholin-4-ylmethyl)-1-benzothiophene-2-carbohydrazide
CID 63570479
3-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-1-benzothiophene-2-carbohydrazide
CID 104556587
3-(imidazol-1-ylmethyl)-1-benzothiophene-2-carbohydrazide
CID 55214028
3-(cyclopentylmethoxymethyl)-1-benzothiophene-2-carbohydrazide
CID 66323152
3-[[methyl(pentan-2-yl)amino]methyl]-1-benzothiophene-2-carbohydrazide
CID 63572760

Frequently Asked Questions

What is the IUPAC name of 3-(sulfanylmethyl)-1-benzothiophene-2-carbohydrazide?
The IUPAC name of 3-(sulfanylmethyl)-1-benzothiophene-2-carbohydrazide (CID 63590827) is 3-(sulfanylmethyl)-1-benzothiophene-2-carbohydrazide.
What is the SMILES notation for 3-(sulfanylmethyl)-1-benzothiophene-2-carbohydrazide?
The canonical SMILES for 3-(sulfanylmethyl)-1-benzothiophene-2-carbohydrazide is NNC(=O)c1sc2ccccc2c1CS.
What is the InChIKey of 3-(sulfanylmethyl)-1-benzothiophene-2-carbohydrazide?
The InChIKey is LZRJTMXZWXEULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS2/c11-12-10(13)9-7(5-14)6-3-1-2-4-8(6)15-9/h1-4,14H,5,11H2,(H,12,13).
What are the key properties of 3-(sulfanylmethyl)-1-benzothiophene-2-carbohydrazide?
3-(sulfanylmethyl)-1-benzothiophene-2-carbohydrazide has a molecular weight of 238.34 g/mol, XLogP of 1.93, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(sulfanylmethyl)-1-benzothiophene-2-carbohydrazide is sourced from PubChem (CID 63590827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).