3-methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carbohydrazide

C10H12N2OS2 — CID 2820730

IUPAC3-methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carbohydrazide
SMILESCSc1sc(C(=O)NN)c2c1C=CCC2
InChIInChI=1S/C10H12N2OS2/c1-14-10-7-5-3-2-4-6(7)8(15-10)9(13)12-11/h3,5H,2,4,11H2,1H3,(H,12,13)
InChIKeyJKZGSVSZMWRNFW-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.03
Rot. Bonds2

About 3-methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carbohydrazide

3-methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carbohydrazide (PubChem CID 2820730) has the molecular formula C10H12N2OS2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carbohydrazide.

Molecular Properties

Compound Name3-methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carbohydrazide
PubChem CID2820730
Molecular FormulaC10H12N2OS2
Molecular Weight240.35 g/mol
Exact Mass240.04
IUPAC Name3-methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carbohydrazide
SMILESCSc1sc(C(=O)NN)c2c1C=CCC2
InChIInChI=1S/C10H12N2OS2/c1-14-10-7-5-3-2-4-6(7)8(15-10)9(13)12-11/h3,5H,2,4,11H2,1H3,(H,12,13)
InChIKeyJKZGSVSZMWRNFW-UHFFFAOYSA-N
XLogP2.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.03
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

N'1-acetyl-3-(methylthio)-6,7-dihydrobenzo[c]thiophene-1-carbohydrazide
CID 2820129
N'-benzoylthiophene-2-carbohydrazide
CID 790437
3-Methylthiophene-2-carbohydrazide
CID 2760084
3'-Methylthio-4',5',6',7'-tetrahydrospiro(1,3-dithiane-2,4'-benzo[c]thiophene)-1-carboxhydrazide
CID 2820940
4-Methylthiophene-2-carbohydrazide
CID 2808207
3,4-Dimethylthiophene-2,5-dicarbohydrazide
CID 232264
4,5,6,7-Tetrahydro-1-benzothiophene-2-carbohydrazide
CID 2060878
3-Methylsulfonyl-6,7-dihydro-2-benzothiophene-1-carboxamide
CID 2820849
5-Ethyl-4-methylthiophene-2-carbohydrazide
CID 3747829
4,5,6,7-Tetrahydro-1-benzothiophene-3-carbohydrazide
CID 766764
4-Ethyl-5-methylthiophene-3-carbohydrazide
CID 3382598
3-[(2-Fluorophenyl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 63640073

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carbohydrazide?
The IUPAC name of 3-methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carbohydrazide (CID 2820730) is 3-methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carbohydrazide.
What is the SMILES notation for 3-methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carbohydrazide?
The canonical SMILES for 3-methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carbohydrazide is CSc1sc(C(=O)NN)c2c1C=CCC2.
What is the InChIKey of 3-methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carbohydrazide?
The InChIKey is JKZGSVSZMWRNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS2/c1-14-10-7-5-3-2-4-6(7)8(15-10)9(13)12-11/h3,5H,2,4,11H2,1H3,(H,12,13).
What are the key properties of 3-methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carbohydrazide?
3-methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carbohydrazide has a molecular weight of 240.35 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carbohydrazide is sourced from PubChem (CID 2820730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).