ethyl-[methyl-(methylideneamino)amino]-sulfanylidenephosphanium

C4H10N2PS+ — CID 89152781

IUPACethyl-[methyl-(methylideneamino)amino]-sulfanylidenephosphanium
SMILESC=NN(C)[P+](=S)CC
InChIInChI=1S/C4H10N2PS/c1-4-7(8)6(3)5-2/h2,4H2,1,3H3/q+1
InChIKeySUBQLRCQKXJRBJ-UHFFFAOYSA-N
MW149.18 g/mol
LogP1.41
Rot. Bonds3

About ethyl-[methyl-(methylideneamino)amino]-sulfanylidenephosphanium

ethyl-[methyl-(methylideneamino)amino]-sulfanylidenephosphanium (PubChem CID 89152781) has the molecular formula C4H10N2PS+ and a molecular weight of 149.18 g/mol. Its IUPAC name is ethyl-[methyl-(methylideneamino)amino]-sulfanylidenephosphanium.

Molecular Properties

Compound Nameethyl-[methyl-(methylideneamino)amino]-sulfanylidenephosphanium
PubChem CID89152781
Molecular FormulaC4H10N2PS+
Molecular Weight149.18 g/mol
Exact Mass149.03
IUPAC Nameethyl-[methyl-(methylideneamino)amino]-sulfanylidenephosphanium
SMILESC=NN(C)[P+](=S)CC
InChIInChI=1S/C4H10N2PS/c1-4-7(8)6(3)5-2/h2,4H2,1,3H3/q+1
InChIKeySUBQLRCQKXJRBJ-UHFFFAOYSA-N
XLogP1.41
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.18
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl-[methyl-(methylideneamino)amino]-sulfanylidenephosphanium?
The IUPAC name of ethyl-[methyl-(methylideneamino)amino]-sulfanylidenephosphanium (CID 89152781) is ethyl-[methyl-(methylideneamino)amino]-sulfanylidenephosphanium.
What is the SMILES notation for ethyl-[methyl-(methylideneamino)amino]-sulfanylidenephosphanium?
The canonical SMILES for ethyl-[methyl-(methylideneamino)amino]-sulfanylidenephosphanium is C=NN(C)[P+](=S)CC.
What is the InChIKey of ethyl-[methyl-(methylideneamino)amino]-sulfanylidenephosphanium?
The InChIKey is SUBQLRCQKXJRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2PS/c1-4-7(8)6(3)5-2/h2,4H2,1,3H3/q+1.
What are the key properties of ethyl-[methyl-(methylideneamino)amino]-sulfanylidenephosphanium?
ethyl-[methyl-(methylideneamino)amino]-sulfanylidenephosphanium has a molecular weight of 149.18 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[methyl-(methylideneamino)amino]-sulfanylidenephosphanium is sourced from PubChem (CID 89152781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).