(3-ethylanilino) thiohypofluorite

C8H10FNS — CID 175524944

IUPAC(3-ethylanilino) thiohypofluorite
SMILESCCc1cccc(NSF)c1
InChIInChI=1S/C8H10FNS/c1-2-7-4-3-5-8(6-7)10-11-9/h3-6,10H,2H2,1H3
InChIKeyVZBWFSYVOPHOJM-UHFFFAOYSA-N
MW171.24 g/mol
LogP3.19
Rot. Bonds3

About (3-ethylanilino) thiohypofluorite

(3-ethylanilino) thiohypofluorite (PubChem CID 175524944) has the molecular formula C8H10FNS and a molecular weight of 171.24 g/mol. Its IUPAC name is (3-ethylanilino) thiohypofluorite.

Molecular Properties

Compound Name(3-ethylanilino) thiohypofluorite
PubChem CID175524944
Molecular FormulaC8H10FNS
Molecular Weight171.24 g/mol
Exact Mass171.05
IUPAC Name(3-ethylanilino) thiohypofluorite
SMILESCCc1cccc(NSF)c1
InChIInChI=1S/C8H10FNS/c1-2-7-4-3-5-8(6-7)10-11-9/h3-6,10H,2H2,1H3
InChIKeyVZBWFSYVOPHOJM-UHFFFAOYSA-N
XLogP3.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (3-ethylanilino) thiohypofluorite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-N-propan-2-ylsulfanylaniline
CID 166883017
CID 58064173
CID 58064173
1-(3-ethylanilino)ethanol
CID 174601913
3-ethyl-N-(3-methylbutan-2-yl)aniline
CID 43196057
N'-(3-ethylphenyl)methanediamine
CID 89312870
3-ethyl-N-(4-methylsulfanylbutyl)aniline
CID 103087215
4-(3-ethylanilino)-2-methylbutan-2-ol
CID 79360431
3-ethyl-N-[1-(methylideneamino)ethenyl]aniline
CID 143798089
2,6-diethyl-N-(3-ethylphenyl)aniline
CID 139833761
3-ethyl-N-prop-1-en-2-ylaniline
CID 143032511
3-ethyl-N-(4-methylphenyl)aniline
CID 139833776
3-ethyl-N-(4-phenylbutyl)aniline
CID 114333153

Frequently Asked Questions

What is the IUPAC name of (3-ethylanilino) thiohypofluorite?
The IUPAC name of (3-ethylanilino) thiohypofluorite (CID 175524944) is (3-ethylanilino) thiohypofluorite.
What is the SMILES notation for (3-ethylanilino) thiohypofluorite?
The canonical SMILES for (3-ethylanilino) thiohypofluorite is CCc1cccc(NSF)c1.
What is the InChIKey of (3-ethylanilino) thiohypofluorite?
The InChIKey is VZBWFSYVOPHOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNS/c1-2-7-4-3-5-8(6-7)10-11-9/h3-6,10H,2H2,1H3.
What are the key properties of (3-ethylanilino) thiohypofluorite?
(3-ethylanilino) thiohypofluorite has a molecular weight of 171.24 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylanilino) thiohypofluorite is sourced from PubChem (CID 175524944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).