1-(2-bromocyclopenta-2,4-dien-1-yl)sulfinyl-4-methylbenzene

C12H11BrOS — CID 102320988

IUPAC1-(2-bromocyclopenta-2,4-dien-1-yl)sulfinyl-4-methylbenzene
SMILESCc1ccc(S(=O)C2C=CC=C2Br)cc1
InChIInChI=1S/C12H11BrOS/c1-9-5-7-10(8-6-9)15(14)12-4-2-3-11(12)13/h2-8,12H,1H3
InChIKeyBJLXOLJDQMQCQI-UHFFFAOYSA-N
MW283.19 g/mol
LogP3.32
Rot. Bonds2

About 1-(2-bromocyclopenta-2,4-dien-1-yl)sulfinyl-4-methylbenzene

1-(2-bromocyclopenta-2,4-dien-1-yl)sulfinyl-4-methylbenzene (PubChem CID 102320988) has the molecular formula C12H11BrOS and a molecular weight of 283.19 g/mol. Its IUPAC name is 1-(2-bromocyclopenta-2,4-dien-1-yl)sulfinyl-4-methylbenzene.

Molecular Properties

Compound Name1-(2-bromocyclopenta-2,4-dien-1-yl)sulfinyl-4-methylbenzene
PubChem CID102320988
Molecular FormulaC12H11BrOS
Molecular Weight283.19 g/mol
Exact Mass281.97
IUPAC Name1-(2-bromocyclopenta-2,4-dien-1-yl)sulfinyl-4-methylbenzene
SMILESCc1ccc(S(=O)C2C=CC=C2Br)cc1
InChIInChI=1S/C12H11BrOS/c1-9-5-7-10(8-6-9)15(14)12-4-2-3-11(12)13/h2-8,12H,1H3
InChIKeyBJLXOLJDQMQCQI-UHFFFAOYSA-N
XLogP3.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.19
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-methyl-4-(4-methylphenyl)sulfinylbenzene
CID 91610736
(1S,2R,3R,4R)-3-[(R)-(4-methylphenyl)sulfinyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carbonitrile
CID 10706419
(R)-4-methylbenzenesulfinyl chloride
CID 98048897
1-bromo-4-methylbenzene;methylsulfinylmethane
CID 68778706
(1S,2S,3S,4R)-2-chloro-3-[(R)-(4-methylphenyl)sulfinyl]bicyclo[2.2.1]heptane
CID 11896919
2-chloro-3-(4-methylphenyl)sulfinylbicyclo[2.2.1]heptane
CID 5010569
(2S,3R)-2-[(S)-(4-methylphenyl)sulfinyl]-3-propan-2-yloxirane
CID 10656772
CID 11594983
CID 11594983
4-methylbenzenesulfinic acid;tetrahydrate
CID 155656454
barium(2+);bis(4-methylbenzenesulfinate)
CID 87486582
cadmium(2+);bis(4-methylbenzenesulfinate)
CID 139758343
2-(4-methylphenyl)sulfinylcyclopentan-1-one
CID 11064019

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromocyclopenta-2,4-dien-1-yl)sulfinyl-4-methylbenzene?
The IUPAC name of 1-(2-bromocyclopenta-2,4-dien-1-yl)sulfinyl-4-methylbenzene (CID 102320988) is 1-(2-bromocyclopenta-2,4-dien-1-yl)sulfinyl-4-methylbenzene.
What is the SMILES notation for 1-(2-bromocyclopenta-2,4-dien-1-yl)sulfinyl-4-methylbenzene?
The canonical SMILES for 1-(2-bromocyclopenta-2,4-dien-1-yl)sulfinyl-4-methylbenzene is Cc1ccc(S(=O)C2C=CC=C2Br)cc1.
What is the InChIKey of 1-(2-bromocyclopenta-2,4-dien-1-yl)sulfinyl-4-methylbenzene?
The InChIKey is BJLXOLJDQMQCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrOS/c1-9-5-7-10(8-6-9)15(14)12-4-2-3-11(12)13/h2-8,12H,1H3.
What are the key properties of 1-(2-bromocyclopenta-2,4-dien-1-yl)sulfinyl-4-methylbenzene?
1-(2-bromocyclopenta-2,4-dien-1-yl)sulfinyl-4-methylbenzene has a molecular weight of 283.19 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromocyclopenta-2,4-dien-1-yl)sulfinyl-4-methylbenzene is sourced from PubChem (CID 102320988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).