1,5-dibromo-2,3-difluoro-4-methylsulfanylbenzene

C7H4Br2F2S — CID 130862936

IUPAC1,5-dibromo-2,3-difluoro-4-methylsulfanylbenzene
SMILESCSc1c(Br)cc(Br)c(F)c1F
InChIInChI=1S/C7H4Br2F2S/c1-12-7-4(9)2-3(8)5(10)6(7)11/h2H,1H3
InChIKeyNIHDKDOZUKYMHW-UHFFFAOYSA-N
MW317.98 g/mol
LogP4.21
Rot. Bonds1

About 1,5-dibromo-2,3-difluoro-4-methylsulfanylbenzene

1,5-dibromo-2,3-difluoro-4-methylsulfanylbenzene (PubChem CID 130862936) has the molecular formula C7H4Br2F2S and a molecular weight of 317.98 g/mol. Its IUPAC name is 1,5-dibromo-2,3-difluoro-4-methylsulfanylbenzene.

Molecular Properties

Compound Name1,5-dibromo-2,3-difluoro-4-methylsulfanylbenzene
PubChem CID130862936
Molecular FormulaC7H4Br2F2S
Molecular Weight317.98 g/mol
Exact Mass315.84
IUPAC Name1,5-dibromo-2,3-difluoro-4-methylsulfanylbenzene
SMILESCSc1c(Br)cc(Br)c(F)c1F
InChIInChI=1S/C7H4Br2F2S/c1-12-7-4(9)2-3(8)5(10)6(7)11/h2H,1H3
InChIKeyNIHDKDOZUKYMHW-UHFFFAOYSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.98
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-bromo-2,3-difluoro-5-methoxy-4-methylsulfanylbenzene
CID 163198255
1,2,3,5-tetrafluoro-4-methylsulfanylbenzene
CID 59336372
(3-bromo-5-fluoro-2-methylsulfanylphenyl)boronic acid
CID 164895402
1-bromo-3-fluoro-2-methylsulfanyl-4-(trifluoromethoxy)benzene
CID 171033271
1,4-bis[(2-bromophenyl)sulfanyl]-2,3,5,6-tetrafluorobenzene
CID 53349981
1-(3,5-dibromo-2,6-difluorophenyl)ethanone
CID 131033339
2-(3-bromo-5-fluoro-4-methylsulfanylphenyl)-N-methylethanamine
CID 117445656
1-[3-bromo-4,5-bis(methylsulfanyl)phenyl]ethanamine
CID 117471831
1,5-dibromo-2,3-difluoro-4-(trifluoromethoxy)benzene
CID 118807728
4,6-dibromo-2,3-difluorobenzenesulfonyl chloride
CID 118824087
1-[3,5-bis[[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenyl]sulfanyl]phenyl]sulfanyl-2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)benzene
CID 155020131
2-[3-bromo-4,5-bis(methylsulfanyl)phenyl]propan-2-ol
CID 117492252

Frequently Asked Questions

What is the IUPAC name of 1,5-dibromo-2,3-difluoro-4-methylsulfanylbenzene?
The IUPAC name of 1,5-dibromo-2,3-difluoro-4-methylsulfanylbenzene (CID 130862936) is 1,5-dibromo-2,3-difluoro-4-methylsulfanylbenzene.
What is the SMILES notation for 1,5-dibromo-2,3-difluoro-4-methylsulfanylbenzene?
The canonical SMILES for 1,5-dibromo-2,3-difluoro-4-methylsulfanylbenzene is CSc1c(Br)cc(Br)c(F)c1F.
What is the InChIKey of 1,5-dibromo-2,3-difluoro-4-methylsulfanylbenzene?
The InChIKey is NIHDKDOZUKYMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br2F2S/c1-12-7-4(9)2-3(8)5(10)6(7)11/h2H,1H3.
What are the key properties of 1,5-dibromo-2,3-difluoro-4-methylsulfanylbenzene?
1,5-dibromo-2,3-difluoro-4-methylsulfanylbenzene has a molecular weight of 317.98 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibromo-2,3-difluoro-4-methylsulfanylbenzene is sourced from PubChem (CID 130862936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).