4-ethyl-1-phenyl-2-thionitrosobenzene

C14H13NS — CID 174568180

IUPAC4-ethyl-1-phenyl-2-thionitrosobenzene
SMILESCCc1ccc(-c2ccccc2)c(N=S)c1
InChIInChI=1S/C14H13NS/c1-2-11-8-9-13(14(10-11)15-16)12-6-4-3-5-7-12/h3-10H,2H2,1H3
InChIKeyNEQCFVVXPPGYCD-UHFFFAOYSA-N
MW227.33 g/mol
LogP4.28
Rot. Bonds3

About 4-ethyl-1-phenyl-2-thionitrosobenzene

4-ethyl-1-phenyl-2-thionitrosobenzene (PubChem CID 174568180) has the molecular formula C14H13NS and a molecular weight of 227.33 g/mol. Its IUPAC name is 4-ethyl-1-phenyl-2-thionitrosobenzene.

Molecular Properties

Compound Name4-ethyl-1-phenyl-2-thionitrosobenzene
PubChem CID174568180
Molecular FormulaC14H13NS
Molecular Weight227.33 g/mol
Exact Mass227.08
IUPAC Name4-ethyl-1-phenyl-2-thionitrosobenzene
SMILESCCc1ccc(-c2ccccc2)c(N=S)c1
InChIInChI=1S/C14H13NS/c1-2-11-8-9-13(14(10-11)15-16)12-6-4-3-5-7-12/h3-10H,2H2,1H3
InChIKeyNEQCFVVXPPGYCD-UHFFFAOYSA-N
XLogP4.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-ethyl-1-phenylbenzene
CID 123462348
ethane;5-ethyl-2-phenylbenzonitrile
CID 145394501
N-[4-(4-ethyl-2-phenylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 146665820
1-ethyl-4-(2-phenylphenyl)benzene;sulfane
CID 160558702
(4-ethyl-2-phenylphenyl)hydrazine
CID 45095041
1-(4-ethylphenyl)-3,5-diphenylbenzene
CID 123998830
1-ethyl-4-(2-nitrosophenyl)benzene
CID 87431486
2,3-diethyl-1,4-diphenylbenzene
CID 59383229
2-[2-[4-(3,5-diphenylphenyl)phenyl]-5-ethylphenyl]naphthalene
CID 142356048
6-ethyl-2,4-diphenylquinoline
CID 132522547
1-ethyl-3-phenylbenzene;propane
CID 145466525
2-ethyl-1-phenyl-4-propylbenzene
CID 123533420

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-phenyl-2-thionitrosobenzene?
The IUPAC name of 4-ethyl-1-phenyl-2-thionitrosobenzene (CID 174568180) is 4-ethyl-1-phenyl-2-thionitrosobenzene.
What is the SMILES notation for 4-ethyl-1-phenyl-2-thionitrosobenzene?
The canonical SMILES for 4-ethyl-1-phenyl-2-thionitrosobenzene is CCc1ccc(-c2ccccc2)c(N=S)c1.
What is the InChIKey of 4-ethyl-1-phenyl-2-thionitrosobenzene?
The InChIKey is NEQCFVVXPPGYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NS/c1-2-11-8-9-13(14(10-11)15-16)12-6-4-3-5-7-12/h3-10H,2H2,1H3.
What are the key properties of 4-ethyl-1-phenyl-2-thionitrosobenzene?
4-ethyl-1-phenyl-2-thionitrosobenzene has a molecular weight of 227.33 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-phenyl-2-thionitrosobenzene is sourced from PubChem (CID 174568180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).