sulfanyl N-(4-bromophenyl)ethanimidate

C8H8BrNOS — CID 160667234

IUPACsulfanyl N-(4-bromophenyl)ethanimidate
SMILESC/C(=N\c1ccc(Br)cc1)OS
InChIInChI=1S/C8H8BrNOS/c1-6(11-12)10-8-4-2-7(9)3-5-8/h2-5,12H,1H3/b10-6+
InChIKeyRMLSOXUCZOUAOZ-UXBLZVDNSA-N
MW246.13 g/mol
LogP3.36
Rot. Bonds1

About sulfanyl N-(4-bromophenyl)ethanimidate

sulfanyl N-(4-bromophenyl)ethanimidate (PubChem CID 160667234) has the molecular formula C8H8BrNOS and a molecular weight of 246.13 g/mol. Its IUPAC name is sulfanyl N-(4-bromophenyl)ethanimidate.

Molecular Properties

Compound Namesulfanyl N-(4-bromophenyl)ethanimidate
PubChem CID160667234
Molecular FormulaC8H8BrNOS
Molecular Weight246.13 g/mol
Exact Mass244.95
IUPAC Namesulfanyl N-(4-bromophenyl)ethanimidate
SMILESC/C(=N\c1ccc(Br)cc1)OS
InChIInChI=1S/C8H8BrNOS/c1-6(11-12)10-8-4-2-7(9)3-5-8/h2-5,12H,1H3/b10-6+
InChIKeyRMLSOXUCZOUAOZ-UXBLZVDNSA-N
XLogP3.36
TPSA21.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.13
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

methyl N'-(4-bromophenyl)carbamimidate
CID 12624027
N-(4-bromophenyl)-1-cyclopenta-1,3-dien-1-ylethanimine
CID 15244462
N-(4-bromophenyl)-2,2,2-trifluoroethanimidoyl bromide
CID 175196993
2-(4-bromophenyl)-1-(diaminomethylidene)guanidine
CID 29665
(2E)-2-(aminomethylidene)-3-(4-bromophenyl)iminobutanenitrile
CID 162439996
2-(aminomethylidene)-3-(4-bromophenyl)iminobutanoic acid
CID 142010221
(Z)-1-(4-bromophenyl)prop-1-ene-1,2-dithiol
CID 88897319
N-[4-[[4-(propan-2-ylideneamino)phenyl]methyl]phenyl]propan-2-imine
CID 90443817
1-bromo-4-isoselenocyanatobenzene
CID 12982044
2-(4-bromophenyl)-1-(diaminomethylideneamino)guanidine
CID 69017718
ethyl N-(4-fluorophenyl)ethanimidate
CID 142881386
(propan-2-ylideneamino) 4-bromobenzoate
CID 708182

Frequently Asked Questions

What is the IUPAC name of sulfanyl N-(4-bromophenyl)ethanimidate?
The IUPAC name of sulfanyl N-(4-bromophenyl)ethanimidate (CID 160667234) is sulfanyl N-(4-bromophenyl)ethanimidate.
What is the SMILES notation for sulfanyl N-(4-bromophenyl)ethanimidate?
The canonical SMILES for sulfanyl N-(4-bromophenyl)ethanimidate is C/C(=N\c1ccc(Br)cc1)OS.
What is the InChIKey of sulfanyl N-(4-bromophenyl)ethanimidate?
The InChIKey is RMLSOXUCZOUAOZ-UXBLZVDNSA-N. The full InChI is InChI=1S/C8H8BrNOS/c1-6(11-12)10-8-4-2-7(9)3-5-8/h2-5,12H,1H3/b10-6+.
What are the key properties of sulfanyl N-(4-bromophenyl)ethanimidate?
sulfanyl N-(4-bromophenyl)ethanimidate has a molecular weight of 246.13 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sulfanyl N-(4-bromophenyl)ethanimidate is sourced from PubChem (CID 160667234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).