[amino(methylsulfanyl)methylidene]azanium iodide

C2H7IN2S — CID 14325100

IUPAC[amino(methylsulfanyl)methylidene]azanium iodide
SMILESCSC(N)=[NH2+].[I-]
InChIInChI=1S/C2H6N2S.HI/c1-5-2(3)4;/h1H3,(H3,3,4);1H
InChIKeyLFXAECSQJSRSTP-UHFFFAOYSA-N
MW218.06 g/mol
LogP-4.57
Rot. Bonds

About [amino(methylsulfanyl)methylidene]azanium iodide

[amino(methylsulfanyl)methylidene]azanium iodide (PubChem CID 14325100) has the molecular formula C2H7IN2S and a molecular weight of 218.06 g/mol. Its IUPAC name is [amino(methylsulfanyl)methylidene]azanium iodide.

Molecular Properties

Compound Name[amino(methylsulfanyl)methylidene]azanium iodide
PubChem CID14325100
Molecular FormulaC2H7IN2S
Molecular Weight218.06 g/mol
Exact Mass217.94
IUPAC Name[amino(methylsulfanyl)methylidene]azanium iodide
SMILESCSC(N)=[NH2+].[I-]
InChIInChI=1S/C2H6N2S.HI/c1-5-2(3)4;/h1H3,(H3,3,4);1H
InChIKeyLFXAECSQJSRSTP-UHFFFAOYSA-N
XLogP-4.57
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.06
LogP ≤ 5-4.57
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [amino(methylsulfanyl)methylidene]azanium iodide?
The IUPAC name of [amino(methylsulfanyl)methylidene]azanium iodide (CID 14325100) is [amino(methylsulfanyl)methylidene]azanium iodide.
What is the SMILES notation for [amino(methylsulfanyl)methylidene]azanium iodide?
The canonical SMILES for [amino(methylsulfanyl)methylidene]azanium iodide is CSC(N)=[NH2+].[I-].
What is the InChIKey of [amino(methylsulfanyl)methylidene]azanium iodide?
The InChIKey is LFXAECSQJSRSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N2S.HI/c1-5-2(3)4;/h1H3,(H3,3,4);1H.
What are the key properties of [amino(methylsulfanyl)methylidene]azanium iodide?
[amino(methylsulfanyl)methylidene]azanium iodide has a molecular weight of 218.06 g/mol, XLogP of -4.57, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(methylsulfanyl)methylidene]azanium iodide is sourced from PubChem (CID 14325100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).