(4-bromo-1,3-thiazol-2-yl) sulfite

C3HBrNO3S2- — CID 174714042

IUPAC(4-bromo-1,3-thiazol-2-yl) sulfite
SMILESO=S([O-])Oc1nc(Br)cs1
InChIInChI=1S/C3H2BrNO3S2/c4-2-1-9-3(5-2)8-10(6)7/h1H,(H,6,7)/p-1
InChIKeyZTERGOYPSBXXRF-UHFFFAOYSA-M
MW243.08 g/mol
LogP1.08
Rot. Bonds2

About (4-bromo-1,3-thiazol-2-yl) sulfite

(4-bromo-1,3-thiazol-2-yl) sulfite (PubChem CID 174714042) has the molecular formula C3HBrNO3S2- and a molecular weight of 243.08 g/mol. Its IUPAC name is (4-bromo-1,3-thiazol-2-yl) sulfite.

Molecular Properties

Compound Name(4-bromo-1,3-thiazol-2-yl) sulfite
PubChem CID174714042
Molecular FormulaC3HBrNO3S2-
Molecular Weight243.08 g/mol
Exact Mass241.86
IUPAC Name(4-bromo-1,3-thiazol-2-yl) sulfite
SMILESO=S([O-])Oc1nc(Br)cs1
InChIInChI=1S/C3H2BrNO3S2/c4-2-1-9-3(5-2)8-10(6)7/h1H,(H,6,7)/p-1
InChIKeyZTERGOYPSBXXRF-UHFFFAOYSA-M
XLogP1.08
TPSA62.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.08
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,4-Dibromo-1,3-thiazole
CID 2763297
4-Bromo-2-methoxy-1,3-thiazole
CID 2763266
4-Bromo-2-(methylthio)-1,3-thiazole
CID 16427094
4-Bromo-2-chlorothiazole
CID 11701210
4-Bromo-2-iodothiazole
CID 13662078
4-Bromo-2-fluoro-1,3-thiazole
CID 66521142
2,4-Dibromothiazole-5-d
CID 101438952
4-Bromo-1,3-thiazole-2-sulfonyl fluoride
CID 130766356
4-Bromo-1,3-thiazole-2-carbothialdehyde
CID 2763268
(4-Bromo-1,3-thiazol-2-yl)methanethiol
CID 26596802
2-Bromothiazole-4-boronic acid
CID 45785621
4-Bromo-2-(methoxy-d3)-thiazole
CID 45787506

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1,3-thiazol-2-yl) sulfite?
The IUPAC name of (4-bromo-1,3-thiazol-2-yl) sulfite (CID 174714042) is (4-bromo-1,3-thiazol-2-yl) sulfite.
What is the SMILES notation for (4-bromo-1,3-thiazol-2-yl) sulfite?
The canonical SMILES for (4-bromo-1,3-thiazol-2-yl) sulfite is O=S([O-])Oc1nc(Br)cs1.
What is the InChIKey of (4-bromo-1,3-thiazol-2-yl) sulfite?
The InChIKey is ZTERGOYPSBXXRF-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H2BrNO3S2/c4-2-1-9-3(5-2)8-10(6)7/h1H,(H,6,7)/p-1.
What are the key properties of (4-bromo-1,3-thiazol-2-yl) sulfite?
(4-bromo-1,3-thiazol-2-yl) sulfite has a molecular weight of 243.08 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1,3-thiazol-2-yl) sulfite is sourced from PubChem (CID 174714042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).