1-(4-bromophenyl)-4,5-dihydro-3H-1,2-thiazole 1-oxide

C9H10BrNOS — CID 121277692

IUPAC1-(4-bromophenyl)-4,5-dihydro-3H-1,2-thiazole 1-oxide
SMILESO=S1(c2ccc(Br)cc2)=NCCC1
InChIInChI=1S/C9H10BrNOS/c10-8-2-4-9(5-3-8)13(12)7-1-6-11-13/h2-5H,1,6-7H2
InChIKeyIXVWGNRLFQDXEW-UHFFFAOYSA-N
MW260.16 g/mol
LogP2.68
Rot. Bonds1

About 1-(4-bromophenyl)-4,5-dihydro-3H-1,2-thiazole 1-oxide

1-(4-bromophenyl)-4,5-dihydro-3H-1,2-thiazole 1-oxide (PubChem CID 121277692) has the molecular formula C9H10BrNOS and a molecular weight of 260.16 g/mol. Its IUPAC name is 1-(4-bromophenyl)-4,5-dihydro-3H-1,2-thiazole 1-oxide.

Molecular Properties

Compound Name1-(4-bromophenyl)-4,5-dihydro-3H-1,2-thiazole 1-oxide
PubChem CID121277692
Molecular FormulaC9H10BrNOS
Molecular Weight260.16 g/mol
Exact Mass258.97
IUPAC Name1-(4-bromophenyl)-4,5-dihydro-3H-1,2-thiazole 1-oxide
SMILESO=S1(c2ccc(Br)cc2)=NCCC1
InChIInChI=1S/C9H10BrNOS/c10-8-2-4-9(5-3-8)13(12)7-1-6-11-13/h2-5H,1,6-7H2
InChIKeyIXVWGNRLFQDXEW-UHFFFAOYSA-N
XLogP2.68
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-4,5-dihydro-3H-1,2-thiazole 1-oxide?
The IUPAC name of 1-(4-bromophenyl)-4,5-dihydro-3H-1,2-thiazole 1-oxide (CID 121277692) is 1-(4-bromophenyl)-4,5-dihydro-3H-1,2-thiazole 1-oxide.
What is the SMILES notation for 1-(4-bromophenyl)-4,5-dihydro-3H-1,2-thiazole 1-oxide?
The canonical SMILES for 1-(4-bromophenyl)-4,5-dihydro-3H-1,2-thiazole 1-oxide is O=S1(c2ccc(Br)cc2)=NCCC1.
What is the InChIKey of 1-(4-bromophenyl)-4,5-dihydro-3H-1,2-thiazole 1-oxide?
The InChIKey is IXVWGNRLFQDXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNOS/c10-8-2-4-9(5-3-8)13(12)7-1-6-11-13/h2-5H,1,6-7H2.
What are the key properties of 1-(4-bromophenyl)-4,5-dihydro-3H-1,2-thiazole 1-oxide?
1-(4-bromophenyl)-4,5-dihydro-3H-1,2-thiazole 1-oxide has a molecular weight of 260.16 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-4,5-dihydro-3H-1,2-thiazole 1-oxide is sourced from PubChem (CID 121277692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).