2-[(2-chlorophenyl)methylsulfanyl]ethanimidamide

C9H11ClN2S — CID 103288606

IUPAC2-[(2-chlorophenyl)methylsulfanyl]ethanimidamide
SMILES[H]/N=C(\N)CSCc1ccccc1Cl
InChIInChI=1S/C9H11ClN2S/c10-8-4-2-1-3-7(8)5-13-6-9(11)12/h1-4H,5-6H2,(H3,11,12)
InChIKeyFJYJNCWPGYRZTM-UHFFFAOYSA-N
MW214.72 g/mol
LogP2.51
Rot. Bonds4

About 2-[(2-chlorophenyl)methylsulfanyl]ethanimidamide

2-[(2-chlorophenyl)methylsulfanyl]ethanimidamide (PubChem CID 103288606) has the molecular formula C9H11ClN2S and a molecular weight of 214.72 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfanyl]ethanimidamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfanyl]ethanimidamide
PubChem CID103288606
Molecular FormulaC9H11ClN2S
Molecular Weight214.72 g/mol
Exact Mass214.03
IUPAC Name2-[(2-chlorophenyl)methylsulfanyl]ethanimidamide
SMILES[H]/N=C(\N)CSCc1ccccc1Cl
InChIInChI=1S/C9H11ClN2S/c10-8-4-2-1-3-7(8)5-13-6-9(11)12/h1-4H,5-6H2,(H3,11,12)
InChIKeyFJYJNCWPGYRZTM-UHFFFAOYSA-N
XLogP2.51
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.72
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-chlorophenyl)methylsulfanyl]acetamide
CID 958774
S-[(2-chlorophenyl)methyl] carbamothioate
CID 174461551
6-[(2-chlorophenyl)methylsulfanyl]-2,2-dimethylhexanimidamide
CID 106712864
1-chloro-2-[2-(chloromethyl)prop-2-enylsulfanylmethyl]benzene
CID 103288075
5-chloro-2-[(2-chlorophenyl)methylsulfanyl]benzenecarboximidamide
CID 103288569
2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]benzamide
CID 958766
2-(2,6-dichlorophenyl)ethanimidamide chloride
CID 45108783
hydrazinyl 3-[(2-chlorophenyl)methylsulfanyl]propanoate
CID 103290681
2-(2-bromo-3-chlorophenyl)ethanimidamide
CID 141257602
3-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxypropanimidamide
CID 103288542
2-[(2-chlorophenyl)methylsulfanyl]-1-cyclopentylethanone
CID 103289117
1-amino-3-[(2-chlorophenyl)methylsulfanyl]propan-2-ol
CID 103288623

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]ethanimidamide?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]ethanimidamide (CID 103288606) is 2-[(2-chlorophenyl)methylsulfanyl]ethanimidamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfanyl]ethanimidamide?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfanyl]ethanimidamide is [H]/N=C(\N)CSCc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfanyl]ethanimidamide?
The InChIKey is FJYJNCWPGYRZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2S/c10-8-4-2-1-3-7(8)5-13-6-9(11)12/h1-4H,5-6H2,(H3,11,12).
What are the key properties of 2-[(2-chlorophenyl)methylsulfanyl]ethanimidamide?
2-[(2-chlorophenyl)methylsulfanyl]ethanimidamide has a molecular weight of 214.72 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfanyl]ethanimidamide is sourced from PubChem (CID 103288606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).