1-bromoethenylbenzene;sulfane

C8H9BrS — CID 175924538

IUPAC1-bromoethenylbenzene;sulfane
SMILESC=C(Br)c1ccccc1.S
InChIInChI=1S/C8H7Br.H2S/c1-7(9)8-5-3-2-4-6-8;/h2-6H,1H2;1H2
InChIKeyLMPYNEHSKWDJGX-UHFFFAOYSA-N
MW217.13 g/mol
LogP3.16
Rot. Bonds1

About 1-bromoethenylbenzene;sulfane

1-bromoethenylbenzene;sulfane (PubChem CID 175924538) has the molecular formula C8H9BrS and a molecular weight of 217.13 g/mol. Its IUPAC name is 1-bromoethenylbenzene;sulfane.

Molecular Properties

Compound Name1-bromoethenylbenzene;sulfane
PubChem CID175924538
Molecular FormulaC8H9BrS
Molecular Weight217.13 g/mol
Exact Mass215.96
IUPAC Name1-bromoethenylbenzene;sulfane
SMILESC=C(Br)c1ccccc1.S
InChIInChI=1S/C8H7Br.H2S/c1-7(9)8-5-3-2-4-6-8;/h2-6H,1H2;1H2
InChIKeyLMPYNEHSKWDJGX-UHFFFAOYSA-N
XLogP3.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.13
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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mercury(1+);1-phenylethenylbenzene;chloride
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4-phenylpenta-1,4-dien-2-ylbenzene
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1,2-diphenylethane-1,2-dione;sulfane
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ethane;tris(prop-1-en-2-ylbenzene)
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[(1Z)-2-bromo-3-phenylbuta-1,3-dienyl]benzene
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(2-bromo-3-phenylbuta-1,3-dienyl)benzene
CID 71411112

Frequently Asked Questions

What is the IUPAC name of 1-bromoethenylbenzene;sulfane?
The IUPAC name of 1-bromoethenylbenzene;sulfane (CID 175924538) is 1-bromoethenylbenzene;sulfane.
What is the SMILES notation for 1-bromoethenylbenzene;sulfane?
The canonical SMILES for 1-bromoethenylbenzene;sulfane is C=C(Br)c1ccccc1.S.
What is the InChIKey of 1-bromoethenylbenzene;sulfane?
The InChIKey is LMPYNEHSKWDJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br.H2S/c1-7(9)8-5-3-2-4-6-8;/h2-6H,1H2;1H2.
What are the key properties of 1-bromoethenylbenzene;sulfane?
1-bromoethenylbenzene;sulfane has a molecular weight of 217.13 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromoethenylbenzene;sulfane is sourced from PubChem (CID 175924538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).