N'-(2-sulfanylacetyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide

C11H14N2O2S2 — CID 146019227

IUPACN'-(2-sulfanylacetyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
SMILESO=C(CS)NNC(=O)c1cc2c(s1)CCCC2
InChIInChI=1S/C11H14N2O2S2/c14-10(6-16)12-13-11(15)9-5-7-3-1-2-4-8(7)17-9/h5,16H,1-4,6H2,(H,12,14)(H,13,15)
InChIKeyUJASWUXJRFSQSF-UHFFFAOYSA-N
MW270.38 g/mol
LogP1.32
Rot. Bonds2

About N'-(2-sulfanylacetyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide

N'-(2-sulfanylacetyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide (PubChem CID 146019227) has the molecular formula C11H14N2O2S2 and a molecular weight of 270.38 g/mol. Its IUPAC name is N'-(2-sulfanylacetyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2-sulfanylacetyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
PubChem CID146019227
Molecular FormulaC11H14N2O2S2
Molecular Weight270.38 g/mol
Exact Mass270.05
IUPAC NameN'-(2-sulfanylacetyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
SMILESO=C(CS)NNC(=O)c1cc2c(s1)CCCC2
InChIInChI=1S/C11H14N2O2S2/c14-10(6-16)12-13-11(15)9-5-7-3-1-2-4-8(7)17-9/h5,16H,1-4,6H2,(H,12,14)(H,13,15)
InChIKeyUJASWUXJRFSQSF-UHFFFAOYSA-N
XLogP1.32
TPSA58.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-sulfanylacetyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide?
The IUPAC name of N'-(2-sulfanylacetyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide (CID 146019227) is N'-(2-sulfanylacetyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide.
What is the SMILES notation for N'-(2-sulfanylacetyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide?
The canonical SMILES for N'-(2-sulfanylacetyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide is O=C(CS)NNC(=O)c1cc2c(s1)CCCC2.
What is the InChIKey of N'-(2-sulfanylacetyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide?
The InChIKey is UJASWUXJRFSQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S2/c14-10(6-16)12-13-11(15)9-5-7-3-1-2-4-8(7)17-9/h5,16H,1-4,6H2,(H,12,14)(H,13,15).
What are the key properties of N'-(2-sulfanylacetyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide?
N'-(2-sulfanylacetyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide has a molecular weight of 270.38 g/mol, XLogP of 1.32, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-sulfanylacetyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide is sourced from PubChem (CID 146019227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).