N'-[(E)-2-amino-2-(2,3-dichlorophenyl)sulfanylethenyl]ethanimidamide

C10H11Cl2N3S — CID 155703004

IUPACN'-[(E)-2-amino-2-(2,3-dichlorophenyl)sulfanylethenyl]ethanimidamide
SMILESC/C(N)=N\C=C(/N)Sc1cccc(Cl)c1Cl
InChIInChI=1S/C10H11Cl2N3S/c1-6(13)15-5-9(14)16-8-4-2-3-7(11)10(8)12/h2-5H,14H2,1H3,(H2,13,15)/b9-5+
InChIKeyOGLLTNMFQPFVOY-WEVVVXLNSA-N
MW276.19 g/mol
LogP3.22
Rot. Bonds3

About N'-[(E)-2-amino-2-(2,3-dichlorophenyl)sulfanylethenyl]ethanimidamide

N'-[(E)-2-amino-2-(2,3-dichlorophenyl)sulfanylethenyl]ethanimidamide (PubChem CID 155703004) has the molecular formula C10H11Cl2N3S and a molecular weight of 276.19 g/mol. Its IUPAC name is N'-[(E)-2-amino-2-(2,3-dichlorophenyl)sulfanylethenyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(E)-2-amino-2-(2,3-dichlorophenyl)sulfanylethenyl]ethanimidamide
PubChem CID155703004
Molecular FormulaC10H11Cl2N3S
Molecular Weight276.19 g/mol
Exact Mass275.01
IUPAC NameN'-[(E)-2-amino-2-(2,3-dichlorophenyl)sulfanylethenyl]ethanimidamide
SMILESC/C(N)=N\C=C(/N)Sc1cccc(Cl)c1Cl
InChIInChI=1S/C10H11Cl2N3S/c1-6(13)15-5-9(14)16-8-4-2-3-7(11)10(8)12/h2-5H,14H2,1H3,(H2,13,15)/b9-5+
InChIKeyOGLLTNMFQPFVOY-WEVVVXLNSA-N
XLogP3.22
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.19
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dichlorophenyl)sulfanyl-N'-hydroxyethanimidamide
CID 57086054
(Z,Z)-N-[(Z)-1-(2,3-dichlorophenyl)sulfanyl-2-fluoroprop-1-enyl]-2-methylpent-2-en-1-imine
CID 176967293
2-(3-amino-4-methylpyrrolidin-1-yl)-2-[(E)-2-(2,3-dichlorophenyl)sulfanyl-2-(methylamino)ethenyl]iminoacetaldehyde
CID 156711828
N'-[2-(2,6-dichlorophenyl)ethenyl]-2-methylpropanimidamide
CID 54053602
N'-[2-(2-chlorophenyl)ethenyl]ethanimidamide;hydrate;hydrochloride
CID 74054387
3-(2,3-dichlorophenyl)sulfanyl-N-[(Z)-1-piperidin-2-ylprop-1-enyl]but-3-en-2-imine
CID 142542257
3-(2,3-dichlorophenyl)sulfanyl-N-[(Z)-1-pyrrolidin-2-ylprop-1-enyl]but-3-en-2-imine;ethane
CID 142542266
S-(3-chloro-2-methylphenyl) ethanethioate
CID 91657674
2,3-dichlorobenzaldehyde;methanol
CID 162040206
N'-(2-bromo-6-chlorophenyl)ethanimidamide;hydrochloride
CID 68563970
N-amino-2,3-dichloro-N'-propan-2-ylbenzenecarboximidamide
CID 61361489
(2Z)-2-[(Z)-1-(8-azaspiro[4.5]decan-8-yl)prop-1-enyl]imino-3-(2,3-dichlorophenyl)sulfanylbut-3-en-1-amine
CID 142542249

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-2-amino-2-(2,3-dichlorophenyl)sulfanylethenyl]ethanimidamide?
The IUPAC name of N'-[(E)-2-amino-2-(2,3-dichlorophenyl)sulfanylethenyl]ethanimidamide (CID 155703004) is N'-[(E)-2-amino-2-(2,3-dichlorophenyl)sulfanylethenyl]ethanimidamide.
What is the SMILES notation for N'-[(E)-2-amino-2-(2,3-dichlorophenyl)sulfanylethenyl]ethanimidamide?
The canonical SMILES for N'-[(E)-2-amino-2-(2,3-dichlorophenyl)sulfanylethenyl]ethanimidamide is C/C(N)=N\C=C(/N)Sc1cccc(Cl)c1Cl.
What is the InChIKey of N'-[(E)-2-amino-2-(2,3-dichlorophenyl)sulfanylethenyl]ethanimidamide?
The InChIKey is OGLLTNMFQPFVOY-WEVVVXLNSA-N. The full InChI is InChI=1S/C10H11Cl2N3S/c1-6(13)15-5-9(14)16-8-4-2-3-7(11)10(8)12/h2-5H,14H2,1H3,(H2,13,15)/b9-5+.
What are the key properties of N'-[(E)-2-amino-2-(2,3-dichlorophenyl)sulfanylethenyl]ethanimidamide?
N'-[(E)-2-amino-2-(2,3-dichlorophenyl)sulfanylethenyl]ethanimidamide has a molecular weight of 276.19 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-2-amino-2-(2,3-dichlorophenyl)sulfanylethenyl]ethanimidamide is sourced from PubChem (CID 155703004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).