2-bromo-6-(2-methylsulfanyl-2-methylsulfinylethenyl)naphthalene

C14H13BrOS2 — CID 139662111

IUPAC2-bromo-6-(2-methylsulfanyl-2-methylsulfinylethenyl)naphthalene
SMILESCSC(=Cc1ccc2cc(Br)ccc2c1)S(C)=O
InChIInChI=1S/C14H13BrOS2/c1-17-14(18(2)16)8-10-3-4-12-9-13(15)6-5-11(12)7-10/h3-9H,1-2H3
InChIKeyRSXRKPUUZOFYSQ-UHFFFAOYSA-N
MW341.30 g/mol
LogP4.64
Rot. Bonds3

About 2-bromo-6-(2-methylsulfanyl-2-methylsulfinylethenyl)naphthalene

2-bromo-6-(2-methylsulfanyl-2-methylsulfinylethenyl)naphthalene (PubChem CID 139662111) has the molecular formula C14H13BrOS2 and a molecular weight of 341.30 g/mol. Its IUPAC name is 2-bromo-6-(2-methylsulfanyl-2-methylsulfinylethenyl)naphthalene.

Molecular Properties

Compound Name2-bromo-6-(2-methylsulfanyl-2-methylsulfinylethenyl)naphthalene
PubChem CID139662111
Molecular FormulaC14H13BrOS2
Molecular Weight341.30 g/mol
Exact Mass339.96
IUPAC Name2-bromo-6-(2-methylsulfanyl-2-methylsulfinylethenyl)naphthalene
SMILESCSC(=Cc1ccc2cc(Br)ccc2c1)S(C)=O
InChIInChI=1S/C14H13BrOS2/c1-17-14(18(2)16)8-10-3-4-12-9-13(15)6-5-11(12)7-10/h3-9H,1-2H3
InChIKeyRSXRKPUUZOFYSQ-UHFFFAOYSA-N
XLogP4.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.30
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylsulfanyl-2-methylsulfinylethenyl)-3-phenoxybenzene
CID 54558564
3-[(E)-2-methylsulfanyl-2-methylsulfinylethenyl]thiophene
CID 19600112
methyl 4-[(E)-2-methylsulfanyl-2-methylsulfinylethenyl]benzoate
CID 10015977
2-chloro-4-[(E)-2-methylsulfanyl-2-methylsulfinylethenyl]-1-prop-2-enoxybenzene
CID 173458147
2,6-dibromonaphthalene
CID 640591
sodium;6-bromonaphthalene-2-sulfinic acid;hydride
CID 173179397
2-bromo-6-methylsulfanylnaphthalene
CID 22018449
2-chloro-5-(2-methylsulfanyl-2-methylsulfinylethenyl)thiophene
CID 86628502
(E)-1-(2-bromophenyl)-3-methylsulfanyl-3-methylsulfinylprop-2-en-1-one
CID 22595708
2-bromo-6-[2-[6-[2-(4-phenylphenyl)ethenyl]naphthalen-2-yl]ethenyl]naphthalene
CID 72565715
3-(6-bromonaphthalen-2-yl)oxy-4-methylbenzaldehyde
CID 105405451
5-bromo-2-[[(E)-2-methyl-3-naphthalen-2-ylprop-2-enoyl]amino]benzoic acid
CID 146175455

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(2-methylsulfanyl-2-methylsulfinylethenyl)naphthalene?
The IUPAC name of 2-bromo-6-(2-methylsulfanyl-2-methylsulfinylethenyl)naphthalene (CID 139662111) is 2-bromo-6-(2-methylsulfanyl-2-methylsulfinylethenyl)naphthalene.
What is the SMILES notation for 2-bromo-6-(2-methylsulfanyl-2-methylsulfinylethenyl)naphthalene?
The canonical SMILES for 2-bromo-6-(2-methylsulfanyl-2-methylsulfinylethenyl)naphthalene is CSC(=Cc1ccc2cc(Br)ccc2c1)S(C)=O.
What is the InChIKey of 2-bromo-6-(2-methylsulfanyl-2-methylsulfinylethenyl)naphthalene?
The InChIKey is RSXRKPUUZOFYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrOS2/c1-17-14(18(2)16)8-10-3-4-12-9-13(15)6-5-11(12)7-10/h3-9H,1-2H3.
What are the key properties of 2-bromo-6-(2-methylsulfanyl-2-methylsulfinylethenyl)naphthalene?
2-bromo-6-(2-methylsulfanyl-2-methylsulfinylethenyl)naphthalene has a molecular weight of 341.30 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(2-methylsulfanyl-2-methylsulfinylethenyl)naphthalene is sourced from PubChem (CID 139662111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).