(3-methyl-2-sulfanylidene-1,3-thiazol-4-yl)oxidanium

C4H6NOS2+ — CID 143254972

IUPAC(3-methyl-2-sulfanylidene-1,3-thiazol-4-yl)oxidanium
SMILESCn1c([OH2+])csc1=S
InChIInChI=1S/C4H5NOS2/c1-5-3(6)2-8-4(5)7/h2,6H,1H3/p+1
InChIKeyQIAPSDBJCUHEQG-UHFFFAOYSA-O
MW148.23 g/mol
LogP1.25
Rot. Bonds

About (3-methyl-2-sulfanylidene-1,3-thiazol-4-yl)oxidanium

(3-methyl-2-sulfanylidene-1,3-thiazol-4-yl)oxidanium (PubChem CID 143254972) has the molecular formula C4H6NOS2+ and a molecular weight of 148.23 g/mol. Its IUPAC name is (3-methyl-2-sulfanylidene-1,3-thiazol-4-yl)oxidanium.

Molecular Properties

Compound Name(3-methyl-2-sulfanylidene-1,3-thiazol-4-yl)oxidanium
PubChem CID143254972
Molecular FormulaC4H6NOS2+
Molecular Weight148.23 g/mol
Exact Mass147.99
IUPAC Name(3-methyl-2-sulfanylidene-1,3-thiazol-4-yl)oxidanium
SMILESCn1c([OH2+])csc1=S
InChIInChI=1S/C4H5NOS2/c1-5-3(6)2-8-4(5)7/h2,6H,1H3/p+1
InChIKeyQIAPSDBJCUHEQG-UHFFFAOYSA-O
XLogP1.25
TPSA27.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Hydroxy-3-methyl-1,3-thiazole-2-thione
CID 53925009
3-Butyl-4-hydroxy-1,3-thiazole-2-thione
CID 54000641
3-Ethyl-4-hydroxy-1,3-thiazole-2-thione
CID 54009528
4-Hydroxy-3-propyl-1,3-thiazole-2-thione
CID 53869427
3-(Dimethylamino)-4-hydroxy-1,3-thiazole-2-thione
CID 54016900
3-Ethyl-5-hydroxy-1,3-thiazole-2-thione
CID 57132829
3-(Chloromethyl)-4-hydroxy-1,3-thiazole-2-thione
CID 57280545
4-Hydroxy-3-(hydroxymethyl)-1,3-thiazole-2-thione
CID 57310109
3-Methyl-2-sulfanylidene-1,3-thiazol-4-olate
CID 57549047
3-Methyl-4-methylsulfanyl-1,3-thiazole-2-thione
CID 89881845
3-(1-Hydroperoxyethenyl)-4-hydroxy-1,3-thiazole-2-thione
CID 90721220
4-Hydroxy-3-propan-2-yl-1,3-thiazole-2-thione
CID 91227797

Frequently Asked Questions

What is the IUPAC name of (3-methyl-2-sulfanylidene-1,3-thiazol-4-yl)oxidanium?
The IUPAC name of (3-methyl-2-sulfanylidene-1,3-thiazol-4-yl)oxidanium (CID 143254972) is (3-methyl-2-sulfanylidene-1,3-thiazol-4-yl)oxidanium.
What is the SMILES notation for (3-methyl-2-sulfanylidene-1,3-thiazol-4-yl)oxidanium?
The canonical SMILES for (3-methyl-2-sulfanylidene-1,3-thiazol-4-yl)oxidanium is Cn1c([OH2+])csc1=S.
What is the InChIKey of (3-methyl-2-sulfanylidene-1,3-thiazol-4-yl)oxidanium?
The InChIKey is QIAPSDBJCUHEQG-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H5NOS2/c1-5-3(6)2-8-4(5)7/h2,6H,1H3/p+1.
What are the key properties of (3-methyl-2-sulfanylidene-1,3-thiazol-4-yl)oxidanium?
(3-methyl-2-sulfanylidene-1,3-thiazol-4-yl)oxidanium has a molecular weight of 148.23 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2-sulfanylidene-1,3-thiazol-4-yl)oxidanium is sourced from PubChem (CID 143254972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).