[(Z)-1-sulfanyl-1-[(E)-3H-thiophen-2-ylideneamino]prop-1-en-2-yl] thiohypochlorite

C7H8ClNS3 — CID 143069384

IUPAC[(Z)-1-sulfanyl-1-[(E)-3H-thiophen-2-ylideneamino]prop-1-en-2-yl] thiohypochlorite
SMILESC/C(SCl)=C(S)\N=C1/CC=CS1
InChIInChI=1S/C7H8ClNS3/c1-5(12-8)7(10)9-6-3-2-4-11-6/h2,4,10H,3H2,1H3/b7-5-,9-6+
InChIKeyBKHDLICJERGGIA-XCZNYUDNSA-N
MW237.80 g/mol
LogP4.04
Rot. Bonds2

About [(Z)-1-sulfanyl-1-[(E)-3H-thiophen-2-ylideneamino]prop-1-en-2-yl] thiohypochlorite

[(Z)-1-sulfanyl-1-[(E)-3H-thiophen-2-ylideneamino]prop-1-en-2-yl] thiohypochlorite (PubChem CID 143069384) has the molecular formula C7H8ClNS3 and a molecular weight of 237.80 g/mol. Its IUPAC name is [(Z)-1-sulfanyl-1-[(E)-3H-thiophen-2-ylideneamino]prop-1-en-2-yl] thiohypochlorite.

Molecular Properties

Compound Name[(Z)-1-sulfanyl-1-[(E)-3H-thiophen-2-ylideneamino]prop-1-en-2-yl] thiohypochlorite
PubChem CID143069384
Molecular FormulaC7H8ClNS3
Molecular Weight237.80 g/mol
Exact Mass236.95
IUPAC Name[(Z)-1-sulfanyl-1-[(E)-3H-thiophen-2-ylideneamino]prop-1-en-2-yl] thiohypochlorite
SMILESC/C(SCl)=C(S)\N=C1/CC=CS1
InChIInChI=1S/C7H8ClNS3/c1-5(12-8)7(10)9-6-3-2-4-11-6/h2,4,10H,3H2,1H3/b7-5-,9-6+
InChIKeyBKHDLICJERGGIA-XCZNYUDNSA-N
XLogP4.04
TPSA12.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.80
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-methyl-3H-thiophen-2-imine
CID 123424228

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-sulfanyl-1-[(E)-3H-thiophen-2-ylideneamino]prop-1-en-2-yl] thiohypochlorite?
The IUPAC name of [(Z)-1-sulfanyl-1-[(E)-3H-thiophen-2-ylideneamino]prop-1-en-2-yl] thiohypochlorite (CID 143069384) is [(Z)-1-sulfanyl-1-[(E)-3H-thiophen-2-ylideneamino]prop-1-en-2-yl] thiohypochlorite.
What is the SMILES notation for [(Z)-1-sulfanyl-1-[(E)-3H-thiophen-2-ylideneamino]prop-1-en-2-yl] thiohypochlorite?
The canonical SMILES for [(Z)-1-sulfanyl-1-[(E)-3H-thiophen-2-ylideneamino]prop-1-en-2-yl] thiohypochlorite is C/C(SCl)=C(S)\N=C1/CC=CS1.
What is the InChIKey of [(Z)-1-sulfanyl-1-[(E)-3H-thiophen-2-ylideneamino]prop-1-en-2-yl] thiohypochlorite?
The InChIKey is BKHDLICJERGGIA-XCZNYUDNSA-N. The full InChI is InChI=1S/C7H8ClNS3/c1-5(12-8)7(10)9-6-3-2-4-11-6/h2,4,10H,3H2,1H3/b7-5-,9-6+.
What are the key properties of [(Z)-1-sulfanyl-1-[(E)-3H-thiophen-2-ylideneamino]prop-1-en-2-yl] thiohypochlorite?
[(Z)-1-sulfanyl-1-[(E)-3H-thiophen-2-ylideneamino]prop-1-en-2-yl] thiohypochlorite has a molecular weight of 237.80 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-sulfanyl-1-[(E)-3H-thiophen-2-ylideneamino]prop-1-en-2-yl] thiohypochlorite is sourced from PubChem (CID 143069384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).