(4-bromophenyl)methyl-imino-methyl-oxo-λ6-sulfane

C8H10BrNOS — CID 146049616

IUPAC(4-bromophenyl)methyl-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C8H10BrNOS/c1-12(10,11)6-7-2-4-8(9)5-3-7/h2-5,10H,6H2,1H3
InChIKeyNIQQYJJUPYEIKV-UHFFFAOYSA-N
MW248.15 g/mol
LogP2.63
Rot. Bonds2

About (4-bromophenyl)methyl-imino-methyl-oxo-λ6-sulfane

(4-bromophenyl)methyl-imino-methyl-oxo-λ6-sulfane (PubChem CID 146049616) has the molecular formula C8H10BrNOS and a molecular weight of 248.15 g/mol. Its IUPAC name is (4-bromophenyl)methyl-imino-methyl-oxo-λ6-sulfane.

Molecular Properties

Compound Name(4-bromophenyl)methyl-imino-methyl-oxo-λ6-sulfane
PubChem CID146049616
Molecular FormulaC8H10BrNOS
Molecular Weight248.15 g/mol
Exact Mass246.97
IUPAC Name(4-bromophenyl)methyl-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C8H10BrNOS/c1-12(10,11)6-7-2-4-8(9)5-3-7/h2-5,10H,6H2,1H3
InChIKeyNIQQYJJUPYEIKV-UHFFFAOYSA-N
XLogP2.63
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)methyl-imino-methyl-oxo-λ6-sulfane?
The IUPAC name of (4-bromophenyl)methyl-imino-methyl-oxo-λ6-sulfane (CID 146049616) is (4-bromophenyl)methyl-imino-methyl-oxo-λ6-sulfane.
What is the SMILES notation for (4-bromophenyl)methyl-imino-methyl-oxo-λ6-sulfane?
The canonical SMILES for (4-bromophenyl)methyl-imino-methyl-oxo-λ6-sulfane is [H]N=S(C)(=O)Cc1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)methyl-imino-methyl-oxo-λ6-sulfane?
The InChIKey is NIQQYJJUPYEIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNOS/c1-12(10,11)6-7-2-4-8(9)5-3-7/h2-5,10H,6H2,1H3.
What are the key properties of (4-bromophenyl)methyl-imino-methyl-oxo-λ6-sulfane?
(4-bromophenyl)methyl-imino-methyl-oxo-λ6-sulfane has a molecular weight of 248.15 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)methyl-imino-methyl-oxo-λ6-sulfane is sourced from PubChem (CID 146049616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).