dimethyl-(5-methylidenethiophen-2-ylidene)azanium

C7H10NS+ — CID 59035355

IUPACdimethyl-(5-methylidenethiophen-2-ylidene)azanium
SMILESC=C1C=CC(=[N+](C)C)S1
InChIInChI=1S/C7H10NS/c1-6-4-5-7(9-6)8(2)3/h4-5H,1H2,2-3H3/q+1
InChIKeyMAKBCRBUSCBNEU-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.47
Rot. Bonds

About dimethyl-(5-methylidenethiophen-2-ylidene)azanium

dimethyl-(5-methylidenethiophen-2-ylidene)azanium (PubChem CID 59035355) has the molecular formula C7H10NS+ and a molecular weight of 140.23 g/mol. Its IUPAC name is dimethyl-(5-methylidenethiophen-2-ylidene)azanium.

Molecular Properties

Compound Namedimethyl-(5-methylidenethiophen-2-ylidene)azanium
PubChem CID59035355
Molecular FormulaC7H10NS+
Molecular Weight140.23 g/mol
Exact Mass140.05
IUPAC Namedimethyl-(5-methylidenethiophen-2-ylidene)azanium
SMILESC=C1C=CC(=[N+](C)C)S1
InChIInChI=1S/C7H10NS/c1-6-4-5-7(9-6)8(2)3/h4-5H,1H2,2-3H3/q+1
InChIKeyMAKBCRBUSCBNEU-UHFFFAOYSA-N
XLogP1.47
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl-(5-methylidenethiophen-2-ylidene)azanium?
The IUPAC name of dimethyl-(5-methylidenethiophen-2-ylidene)azanium (CID 59035355) is dimethyl-(5-methylidenethiophen-2-ylidene)azanium.
What is the SMILES notation for dimethyl-(5-methylidenethiophen-2-ylidene)azanium?
The canonical SMILES for dimethyl-(5-methylidenethiophen-2-ylidene)azanium is C=C1C=CC(=[N+](C)C)S1.
What is the InChIKey of dimethyl-(5-methylidenethiophen-2-ylidene)azanium?
The InChIKey is MAKBCRBUSCBNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10NS/c1-6-4-5-7(9-6)8(2)3/h4-5H,1H2,2-3H3/q+1.
What are the key properties of dimethyl-(5-methylidenethiophen-2-ylidene)azanium?
dimethyl-(5-methylidenethiophen-2-ylidene)azanium has a molecular weight of 140.23 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(5-methylidenethiophen-2-ylidene)azanium is sourced from PubChem (CID 59035355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).