imino-methyl-oxo-(2-phenylphenyl)-λ6-sulfane

C13H13NOS — CID 162404688

IUPACimino-methyl-oxo-(2-phenylphenyl)-λ6-sulfane
SMILES[H]N=S(C)(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C13H13NOS/c1-16(14,15)13-10-6-5-9-12(13)11-7-3-2-4-8-11/h2-10,14H,1H3
InChIKeyHATUMDINUHKHIS-UHFFFAOYSA-N
MW231.32 g/mol
LogP3.39
Rot. Bonds2

About imino-methyl-oxo-(2-phenylphenyl)-λ6-sulfane

imino-methyl-oxo-(2-phenylphenyl)-λ6-sulfane (PubChem CID 162404688) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is imino-methyl-oxo-(2-phenylphenyl)-λ6-sulfane.

Molecular Properties

Compound Nameimino-methyl-oxo-(2-phenylphenyl)-λ6-sulfane
PubChem CID162404688
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC Nameimino-methyl-oxo-(2-phenylphenyl)-λ6-sulfane
SMILES[H]N=S(C)(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C13H13NOS/c1-16(14,15)13-10-6-5-9-12(13)11-7-3-2-4-8-11/h2-10,14H,1H3
InChIKeyHATUMDINUHKHIS-UHFFFAOYSA-N
XLogP3.39
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl-(2-phenylphenyl)sulfonylazanide
CID 59280748
N,N-dimethyl-2-phenylbenzenesulfonamide
CID 19014102
chromium(6+);hexakis(octalene-1-sulfonate)
CID 157485438
2-(4-phenylphenyl)benzenesulfonic acid
CID 19793885
(2-phenylphenyl)sulfonylformonitrile
CID 172758625
azulene-1-sulfonic acid
CID 159727462
1-pentylsulfonyl-2-phenylbenzene
CID 69120120
(2-phenylphenyl)sulfonylcarbamic acid
CID 23312596
1-phenyl-2-prop-2-enylsulfonylbenzene
CID 68657495
1-(2-phenylphenyl)sulfonylpyrrolidine
CID 51112991
methanesulfonate;(2-phenylphenyl)azanium
CID 138453494
propan-2-yl azulene-1-sulfonate
CID 154190789

Frequently Asked Questions

What is the IUPAC name of imino-methyl-oxo-(2-phenylphenyl)-λ6-sulfane?
The IUPAC name of imino-methyl-oxo-(2-phenylphenyl)-λ6-sulfane (CID 162404688) is imino-methyl-oxo-(2-phenylphenyl)-λ6-sulfane.
What is the SMILES notation for imino-methyl-oxo-(2-phenylphenyl)-λ6-sulfane?
The canonical SMILES for imino-methyl-oxo-(2-phenylphenyl)-λ6-sulfane is [H]N=S(C)(=O)c1ccccc1-c1ccccc1.
What is the InChIKey of imino-methyl-oxo-(2-phenylphenyl)-λ6-sulfane?
The InChIKey is HATUMDINUHKHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS/c1-16(14,15)13-10-6-5-9-12(13)11-7-3-2-4-8-11/h2-10,14H,1H3.
What are the key properties of imino-methyl-oxo-(2-phenylphenyl)-λ6-sulfane?
imino-methyl-oxo-(2-phenylphenyl)-λ6-sulfane has a molecular weight of 231.32 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for imino-methyl-oxo-(2-phenylphenyl)-λ6-sulfane is sourced from PubChem (CID 162404688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).