ethyl thiohypofluorite;(3E,5Z)-2-methanimidoylhepta-1,3,5-trien-3-amine

C10H17FN2S — CID 145036953

IUPACethyl thiohypofluorite;(3E,5Z)-2-methanimidoylhepta-1,3,5-trien-3-amine
SMILESCCSF.[H]/N=C/C(=C)/C(N)=C\C=C/C
InChIInChI=1S/C8H12N2.C2H5FS/c1-3-4-5-8(10)7(2)6-9;1-2-4-3/h3-6,9H,2,10H2,1H3;2H2,1H3/b4-3-,8-5+,9-6+;
InChIKeyKSYLXPSABAIAOY-NHVGKISOSA-N
MW216.32 g/mol
LogP3.23
Rot. Bonds4

About ethyl thiohypofluorite;(3E,5Z)-2-methanimidoylhepta-1,3,5-trien-3-amine

ethyl thiohypofluorite;(3E,5Z)-2-methanimidoylhepta-1,3,5-trien-3-amine (PubChem CID 145036953) has the molecular formula C10H17FN2S and a molecular weight of 216.32 g/mol. Its IUPAC name is ethyl thiohypofluorite;(3E,5Z)-2-methanimidoylhepta-1,3,5-trien-3-amine.

Molecular Properties

Compound Nameethyl thiohypofluorite;(3E,5Z)-2-methanimidoylhepta-1,3,5-trien-3-amine
PubChem CID145036953
Molecular FormulaC10H17FN2S
Molecular Weight216.32 g/mol
Exact Mass216.11
IUPAC Nameethyl thiohypofluorite;(3E,5Z)-2-methanimidoylhepta-1,3,5-trien-3-amine
SMILESCCSF.[H]/N=C/C(=C)/C(N)=C\C=C/C
InChIInChI=1S/C8H12N2.C2H5FS/c1-3-4-5-8(10)7(2)6-9;1-2-4-3/h3-6,9H,2,10H2,1H3;2H2,1H3/b4-3-,8-5+,9-6+;
InChIKeyKSYLXPSABAIAOY-NHVGKISOSA-N
XLogP3.23
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze ethyl thiohypofluorite;(3E,5Z)-2-methanimidoylhepta-1,3,5-trien-3-amine 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

(3E,5Z)-2-methanimidoylocta-1,3,5-trien-3-amine
CID 142878696
(2Z,4Z)-2-(1-methoxyethenyl)hexa-2,4-dien-1-imine
CID 134286835
(2Z,4Z)-2-ethenylhexa-2,4-dien-1-imine
CID 156799789
(3E,5Z)-2-hydrazinylhepta-1,3,5-trien-3-amine
CID 134408250
(3E)-2-methanimidoyl-N-phosphanylhepta-1,3-dien-3-amine
CID 135278571
2-N-(4-fluorophenyl)-6,7-dimethoxyquinazoline-2,4-diamine;(3E,5Z)-2-methanimidoylocta-1,3,5-trien-3-amine
CID 142878695
3-ethenylhepta-3,5-diene-1,2-diimine
CID 123395606
4-methyl-2,3-dimethylidenehexan-1-imine
CID 170635680
(3E,5Z)-1-imino-3-methanimidoylhepta-3,5-dien-2-one
CID 156556155
N'-[(2E,4Z)-1-iminohexa-2,4-dien-2-yl]-N-methylpropanediamide
CID 89467841
(4Z,6E)-6-chloro-2,3-dimethylideneocta-4,6-dien-1-imine
CID 177317779
3-methanimidoylpent-2-en-2-amine
CID 173477121

Frequently Asked Questions

What is the IUPAC name of ethyl thiohypofluorite;(3E,5Z)-2-methanimidoylhepta-1,3,5-trien-3-amine?
The IUPAC name of ethyl thiohypofluorite;(3E,5Z)-2-methanimidoylhepta-1,3,5-trien-3-amine (CID 145036953) is ethyl thiohypofluorite;(3E,5Z)-2-methanimidoylhepta-1,3,5-trien-3-amine.
What is the SMILES notation for ethyl thiohypofluorite;(3E,5Z)-2-methanimidoylhepta-1,3,5-trien-3-amine?
The canonical SMILES for ethyl thiohypofluorite;(3E,5Z)-2-methanimidoylhepta-1,3,5-trien-3-amine is CCSF.[H]/N=C/C(=C)/C(N)=C\C=C/C.
What is the InChIKey of ethyl thiohypofluorite;(3E,5Z)-2-methanimidoylhepta-1,3,5-trien-3-amine?
The InChIKey is KSYLXPSABAIAOY-NHVGKISOSA-N. The full InChI is InChI=1S/C8H12N2.C2H5FS/c1-3-4-5-8(10)7(2)6-9;1-2-4-3/h3-6,9H,2,10H2,1H3;2H2,1H3/b4-3-,8-5+,9-6+;.
What are the key properties of ethyl thiohypofluorite;(3E,5Z)-2-methanimidoylhepta-1,3,5-trien-3-amine?
ethyl thiohypofluorite;(3E,5Z)-2-methanimidoylhepta-1,3,5-trien-3-amine has a molecular weight of 216.32 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl thiohypofluorite;(3E,5Z)-2-methanimidoylhepta-1,3,5-trien-3-amine is sourced from PubChem (CID 145036953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).