(2,5-dibromophenyl)-(thian-2-yl)methanone

C12H12Br2OS — CID 114373349

IUPAC(2,5-dibromophenyl)-(thian-2-yl)methanone
SMILESO=C(c1cc(Br)ccc1Br)C1CCCCS1
InChIInChI=1S/C12H12Br2OS/c13-8-4-5-10(14)9(7-8)12(15)11-3-1-2-6-16-11/h4-5,7,11H,1-3,6H2
InChIKeyFMODSHGAHZDCBL-UHFFFAOYSA-N
MW364.10 g/mol
LogP4.68
Rot. Bonds2

About (2,5-dibromophenyl)-(thian-2-yl)methanone

(2,5-dibromophenyl)-(thian-2-yl)methanone (PubChem CID 114373349) has the molecular formula C12H12Br2OS and a molecular weight of 364.10 g/mol. Its IUPAC name is (2,5-dibromophenyl)-(thian-2-yl)methanone.

Molecular Properties

Compound Name(2,5-dibromophenyl)-(thian-2-yl)methanone
PubChem CID114373349
Molecular FormulaC12H12Br2OS
Molecular Weight364.10 g/mol
Exact Mass361.90
IUPAC Name(2,5-dibromophenyl)-(thian-2-yl)methanone
SMILESO=C(c1cc(Br)ccc1Br)C1CCCCS1
InChIInChI=1S/C12H12Br2OS/c13-8-4-5-10(14)9(7-8)12(15)11-3-1-2-6-16-11/h4-5,7,11H,1-3,6H2
InChIKeyFMODSHGAHZDCBL-UHFFFAOYSA-N
XLogP4.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.10
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,5-dibromophenyl)-(thian-2-yl)methanone?
The IUPAC name of (2,5-dibromophenyl)-(thian-2-yl)methanone (CID 114373349) is (2,5-dibromophenyl)-(thian-2-yl)methanone.
What is the SMILES notation for (2,5-dibromophenyl)-(thian-2-yl)methanone?
The canonical SMILES for (2,5-dibromophenyl)-(thian-2-yl)methanone is O=C(c1cc(Br)ccc1Br)C1CCCCS1.
What is the InChIKey of (2,5-dibromophenyl)-(thian-2-yl)methanone?
The InChIKey is FMODSHGAHZDCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2OS/c13-8-4-5-10(14)9(7-8)12(15)11-3-1-2-6-16-11/h4-5,7,11H,1-3,6H2.
What are the key properties of (2,5-dibromophenyl)-(thian-2-yl)methanone?
(2,5-dibromophenyl)-(thian-2-yl)methanone has a molecular weight of 364.10 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromophenyl)-(thian-2-yl)methanone is sourced from PubChem (CID 114373349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).