[amino(methylsulfanyl)methylidene]-methylazanium chloride

C3H9ClN2S — CID 134867682

IUPAC[amino(methylsulfanyl)methylidene]-methylazanium chloride
SMILESC/[NH+]=C(\N)SC.[Cl-]
InChIInChI=1S/C3H8N2S.ClH/c1-5-3(4)6-2;/h1-2H3,(H2,4,5);1H
InChIKeyRAFROHBDSLPCPP-UHFFFAOYSA-N
MW140.64 g/mol
LogP-4.62
Rot. Bonds

About [amino(methylsulfanyl)methylidene]-methylazanium chloride

[amino(methylsulfanyl)methylidene]-methylazanium chloride (PubChem CID 134867682) has the molecular formula C3H9ClN2S and a molecular weight of 140.64 g/mol. Its IUPAC name is [amino(methylsulfanyl)methylidene]-methylazanium chloride.

Molecular Properties

Compound Name[amino(methylsulfanyl)methylidene]-methylazanium chloride
PubChem CID134867682
Molecular FormulaC3H9ClN2S
Molecular Weight140.64 g/mol
Exact Mass140.02
IUPAC Name[amino(methylsulfanyl)methylidene]-methylazanium chloride
SMILESC/[NH+]=C(\N)SC.[Cl-]
InChIInChI=1S/C3H8N2S.ClH/c1-5-3(4)6-2;/h1-2H3,(H2,4,5);1H
InChIKeyRAFROHBDSLPCPP-UHFFFAOYSA-N
XLogP-4.62
TPSA39.99 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.64
LogP ≤ 5-4.62
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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Related Compounds

[amino(ethylsulfanyl)methylidene]-methylazanium
CID 101002214
[amino(methylsulfanyl)methylidene]azanium iodide
CID 14325100
methyl carbamodithioate;silver
CID 174849393
2-methyl-1-methylsulfanylprop-1-en-1-amine
CID 130456062
(E)-[amino(methylsulfanyl)methylidene]-(4-oxopent-2-en-2-ylamino)azanium iodide
CID 172916157
[amino(methylsulfanyl)methylidene]azanium;ethene-1,1-diamine
CID 159951875
[amino(methylsulfanyl)methylidene]-(3-pyridin-2-ylpropyl)azanium iodide
CID 19861123
[amino(methylsulfanyl)methylidene]-(4-chloro-3-methylphenyl)azanium
CID 58624207
methylsulfanylmethanethioic S-acid
CID 13063886
methyl N'-(dihydroxyamino)carbamimidothioate
CID 4542680
2-[bis(methylsulfanyl)methylidene]propanediamide
CID 134094771
amino-methyl-(1-methylsulfanylethylidene)azanium iodide
CID 71325868

Frequently Asked Questions

What is the IUPAC name of [amino(methylsulfanyl)methylidene]-methylazanium chloride?
The IUPAC name of [amino(methylsulfanyl)methylidene]-methylazanium chloride (CID 134867682) is [amino(methylsulfanyl)methylidene]-methylazanium chloride.
What is the SMILES notation for [amino(methylsulfanyl)methylidene]-methylazanium chloride?
The canonical SMILES for [amino(methylsulfanyl)methylidene]-methylazanium chloride is C/[NH+]=C(\N)SC.[Cl-].
What is the InChIKey of [amino(methylsulfanyl)methylidene]-methylazanium chloride?
The InChIKey is RAFROHBDSLPCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2S.ClH/c1-5-3(4)6-2;/h1-2H3,(H2,4,5);1H.
What are the key properties of [amino(methylsulfanyl)methylidene]-methylazanium chloride?
[amino(methylsulfanyl)methylidene]-methylazanium chloride has a molecular weight of 140.64 g/mol, XLogP of -4.62, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(methylsulfanyl)methylidene]-methylazanium chloride is sourced from PubChem (CID 134867682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).