[amino(methoxysulfanyl)methylidene]azanium

C2H7N2OS+ — CID 172729899

IUPAC[amino(methoxysulfanyl)methylidene]azanium
SMILESCOSC(N)=[NH2+]
InChIInChI=1S/C2H6N2OS/c1-5-6-2(3)4/h1H3,(H3,3,4)/p+1
InChIKeyBWWWDGNAMFQPIF-UHFFFAOYSA-O
MW107.16 g/mol
LogP-1.65
Rot. Bonds1

About [amino(methoxysulfanyl)methylidene]azanium

[amino(methoxysulfanyl)methylidene]azanium (PubChem CID 172729899) has the molecular formula C2H7N2OS+ and a molecular weight of 107.16 g/mol. Its IUPAC name is [amino(methoxysulfanyl)methylidene]azanium.

Molecular Properties

Compound Name[amino(methoxysulfanyl)methylidene]azanium
PubChem CID172729899
Molecular FormulaC2H7N2OS+
Molecular Weight107.16 g/mol
Exact Mass107.03
IUPAC Name[amino(methoxysulfanyl)methylidene]azanium
SMILESCOSC(N)=[NH2+]
InChIInChI=1S/C2H6N2OS/c1-5-6-2(3)4/h1H3,(H3,3,4)/p+1
InChIKeyBWWWDGNAMFQPIF-UHFFFAOYSA-O
XLogP-1.65
TPSA60.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.16
LogP ≤ 5-1.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[amino(methoxy)methylidene]azanium
CID 12946830
[amino(methylsulfanyl)methylidene]azanium iodide
CID 14325100
[amino(methylsulfanyl)methylidene]azanium;ethene-1,1-diamine
CID 159951875
[amino(3-trimethoxysilylpropylsulfanyl)methylidene]azanium
CID 101376195
[amino(ethylsulfanyl)methylidene]azanium
CID 5048191
[amino(propan-2-ylsulfanyl)methylidene]azanium
CID 4218396
iron;bis(O-methyl carbamothioate)
CID 87395326
bismuthane;bis(O-methyl carbamothioate)
CID 172996022
azane;O-methyl carbamothioate
CID 162314519
bis(O-methyl carbamothioate);prop-1-ene
CID 175031330
CID 102378205
CID 102378205
nonakis(diaminomethylideneazanium);hydrochloride
CID 131728604

Frequently Asked Questions

What is the IUPAC name of [amino(methoxysulfanyl)methylidene]azanium?
The IUPAC name of [amino(methoxysulfanyl)methylidene]azanium (CID 172729899) is [amino(methoxysulfanyl)methylidene]azanium.
What is the SMILES notation for [amino(methoxysulfanyl)methylidene]azanium?
The canonical SMILES for [amino(methoxysulfanyl)methylidene]azanium is COSC(N)=[NH2+].
What is the InChIKey of [amino(methoxysulfanyl)methylidene]azanium?
The InChIKey is BWWWDGNAMFQPIF-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H6N2OS/c1-5-6-2(3)4/h1H3,(H3,3,4)/p+1.
What are the key properties of [amino(methoxysulfanyl)methylidene]azanium?
[amino(methoxysulfanyl)methylidene]azanium has a molecular weight of 107.16 g/mol, XLogP of -1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(methoxysulfanyl)methylidene]azanium is sourced from PubChem (CID 172729899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).