dimethyl(1,3-thiazol-2-yl)sulfanium

C5H8NS2+ — CID 172777889

IUPACdimethyl(1,3-thiazol-2-yl)sulfanium
SMILESC[S+](C)c1nccs1
InChIInChI=1S/C5H8NS2/c1-8(2)5-6-3-4-7-5/h3-4H,1-2H3/q+1
InChIKeyNVUVCRVEYDRPMP-UHFFFAOYSA-N
MW146.26 g/mol
LogP1.38
Rot. Bonds1

About dimethyl(1,3-thiazol-2-yl)sulfanium

dimethyl(1,3-thiazol-2-yl)sulfanium (PubChem CID 172777889) has the molecular formula C5H8NS2+ and a molecular weight of 146.26 g/mol. Its IUPAC name is dimethyl(1,3-thiazol-2-yl)sulfanium.

Molecular Properties

Compound Namedimethyl(1,3-thiazol-2-yl)sulfanium
PubChem CID172777889
Molecular FormulaC5H8NS2+
Molecular Weight146.26 g/mol
Exact Mass146.01
IUPAC Namedimethyl(1,3-thiazol-2-yl)sulfanium
SMILESC[S+](C)c1nccs1
InChIInChI=1S/C5H8NS2/c1-8(2)5-6-3-4-7-5/h3-4H,1-2H3/q+1
InChIKeyNVUVCRVEYDRPMP-UHFFFAOYSA-N
XLogP1.38
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.26
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl(1,3-thiazol-2-yl)sulfanium?
The IUPAC name of dimethyl(1,3-thiazol-2-yl)sulfanium (CID 172777889) is dimethyl(1,3-thiazol-2-yl)sulfanium.
What is the SMILES notation for dimethyl(1,3-thiazol-2-yl)sulfanium?
The canonical SMILES for dimethyl(1,3-thiazol-2-yl)sulfanium is C[S+](C)c1nccs1.
What is the InChIKey of dimethyl(1,3-thiazol-2-yl)sulfanium?
The InChIKey is NVUVCRVEYDRPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8NS2/c1-8(2)5-6-3-4-7-5/h3-4H,1-2H3/q+1.
What are the key properties of dimethyl(1,3-thiazol-2-yl)sulfanium?
dimethyl(1,3-thiazol-2-yl)sulfanium has a molecular weight of 146.26 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(1,3-thiazol-2-yl)sulfanium is sourced from PubChem (CID 172777889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).