3-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxypropanimidamide

C10H13ClN2OS — CID 103288542

IUPAC3-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxypropanimidamide
SMILESN/C(CCSCc1ccccc1Cl)=N/O
InChIInChI=1S/C10H13ClN2OS/c11-9-4-2-1-3-8(9)7-15-6-5-10(12)13-14/h1-4,14H,5-7H2,(H2,12,13)
InChIKeyCJGBXJFAPCQGOF-UHFFFAOYSA-N
MW244.75 g/mol
LogP2.71
Rot. Bonds5

About 3-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxypropanimidamide

3-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxypropanimidamide (PubChem CID 103288542) has the molecular formula C10H13ClN2OS and a molecular weight of 244.75 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxypropanimidamide
PubChem CID103288542
Molecular FormulaC10H13ClN2OS
Molecular Weight244.75 g/mol
Exact Mass244.04
IUPAC Name3-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxypropanimidamide
SMILESN/C(CCSCc1ccccc1Cl)=N/O
InChIInChI=1S/C10H13ClN2OS/c11-9-4-2-1-3-8(9)7-15-6-5-10(12)13-14/h1-4,14H,5-7H2,(H2,12,13)
InChIKeyCJGBXJFAPCQGOF-UHFFFAOYSA-N
XLogP2.71
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.75
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(2-chlorophenyl)methoxy]-N'-hydroxypropanimidamide
CID 24694095
hydrazinyl 3-[(2-chlorophenyl)methylsulfanyl]propanoate
CID 103290681
2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 958774
2-[(2-chlorophenyl)methylsulfanylmethyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103371375
2-[(2-chlorophenyl)methylsulfanylmethyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 103288550
N-(4-amino-4-hydroxyiminobutyl)-2-(2-chlorophenyl)acetamide
CID 76953220
(2-chlorophenyl)methyl N'-aminocarbamimidothioate
CID 134100119
2-[(2-chlorophenyl)methylsulfanyl]ethanimidamide
CID 103288606
S-[(2-chlorophenyl)methyl] carbamothioate
CID 174461551
2-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxybutanimidamide
CID 103288540
N-(3-aminophenyl)-3-[(2-chlorophenyl)methylsulfanyl]propanamide
CID 103288410
1-amino-3-[(2-chlorophenyl)methylsulfanyl]propan-2-ol
CID 103288623

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxypropanimidamide (CID 103288542) is 3-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxypropanimidamide is N/C(CCSCc1ccccc1Cl)=N/O.
What is the InChIKey of 3-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxypropanimidamide?
The InChIKey is CJGBXJFAPCQGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2OS/c11-9-4-2-1-3-8(9)7-15-6-5-10(12)13-14/h1-4,14H,5-7H2,(H2,12,13).
What are the key properties of 3-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxypropanimidamide?
3-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxypropanimidamide has a molecular weight of 244.75 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxypropanimidamide is sourced from PubChem (CID 103288542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).