[amino(benzylsulfanyl)methylidene]azanium chloride

C8H11ClN2S — CID 2765856

IUPAC[amino(benzylsulfanyl)methylidene]azanium chloride
SMILESNC(=[NH2+])SCc1ccccc1.[Cl-]
InChIInChI=1S/C8H10N2S.ClH/c9-8(10)11-6-7-4-2-1-3-5-7;/h1-5H,6H2,(H3,9,10);1H
InChIKeyWJAASTDRAAMYNK-UHFFFAOYSA-N
MW202.71 g/mol
LogP-3.00
Rot. Bonds2

About [amino(benzylsulfanyl)methylidene]azanium chloride

[amino(benzylsulfanyl)methylidene]azanium chloride (PubChem CID 2765856) has the molecular formula C8H11ClN2S and a molecular weight of 202.71 g/mol. Its IUPAC name is [amino(benzylsulfanyl)methylidene]azanium chloride.

Molecular Properties

Compound Name[amino(benzylsulfanyl)methylidene]azanium chloride
PubChem CID2765856
Molecular FormulaC8H11ClN2S
Molecular Weight202.71 g/mol
Exact Mass202.03
IUPAC Name[amino(benzylsulfanyl)methylidene]azanium chloride
SMILESNC(=[NH2+])SCc1ccccc1.[Cl-]
InChIInChI=1S/C8H10N2S.ClH/c9-8(10)11-6-7-4-2-1-3-5-7;/h1-5H,6H2,(H3,9,10);1H
InChIKeyWJAASTDRAAMYNK-UHFFFAOYSA-N
XLogP-3.00
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.71
LogP ≤ 5-3.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [amino(benzylsulfanyl)methylidene]azanium chloride?
The IUPAC name of [amino(benzylsulfanyl)methylidene]azanium chloride (CID 2765856) is [amino(benzylsulfanyl)methylidene]azanium chloride.
What is the SMILES notation for [amino(benzylsulfanyl)methylidene]azanium chloride?
The canonical SMILES for [amino(benzylsulfanyl)methylidene]azanium chloride is NC(=[NH2+])SCc1ccccc1.[Cl-].
What is the InChIKey of [amino(benzylsulfanyl)methylidene]azanium chloride?
The InChIKey is WJAASTDRAAMYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S.ClH/c9-8(10)11-6-7-4-2-1-3-5-7;/h1-5H,6H2,(H3,9,10);1H.
What are the key properties of [amino(benzylsulfanyl)methylidene]azanium chloride?
[amino(benzylsulfanyl)methylidene]azanium chloride has a molecular weight of 202.71 g/mol, XLogP of -3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(benzylsulfanyl)methylidene]azanium chloride is sourced from PubChem (CID 2765856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).