3-(3-chlorophenyl)sulfanyl-N'-hydroxypropanimidamide

C9H11ClN2OS — CID 76947617

IUPAC3-(3-chlorophenyl)sulfanyl-N'-hydroxypropanimidamide
SMILESNC(CCSc1cccc(Cl)c1)=NO
InChIInChI=1S/C9H11ClN2OS/c10-7-2-1-3-8(6-7)14-5-4-9(11)12-13/h1-3,6,13H,4-5H2,(H2,11,12)
InChIKeySZGLGASWKQIYTJ-UHFFFAOYSA-N
MW230.72 g/mol
LogP2.57
Rot. Bonds4

About 3-(3-chlorophenyl)sulfanyl-N'-hydroxypropanimidamide

3-(3-chlorophenyl)sulfanyl-N'-hydroxypropanimidamide (PubChem CID 76947617) has the molecular formula C9H11ClN2OS and a molecular weight of 230.72 g/mol. Its IUPAC name is 3-(3-chlorophenyl)sulfanyl-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)sulfanyl-N'-hydroxypropanimidamide
PubChem CID76947617
Molecular FormulaC9H11ClN2OS
Molecular Weight230.72 g/mol
Exact Mass230.03
IUPAC Name3-(3-chlorophenyl)sulfanyl-N'-hydroxypropanimidamide
SMILESNC(CCSc1cccc(Cl)c1)=NO
InChIInChI=1S/C9H11ClN2OS/c10-7-2-1-3-8(6-7)14-5-4-9(11)12-13/h1-3,6,13H,4-5H2,(H2,11,12)
InChIKeySZGLGASWKQIYTJ-UHFFFAOYSA-N
XLogP2.57
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.72
LogP ≤ 52.57
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[1-[(3-chlorophenyl)sulfanylmethyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071053
2-(3-chlorophenyl)sulfanylacetamide
CID 62647381
2-(3-chlorophenyl)-N'-hydroxyethanimidamide
CID 16775239
N-[2-(3-chlorophenyl)sulfanylethyl]formamide
CID 91574653
ethyl 4-(3-chlorophenyl)sulfanylbutanoate
CID 117058890
N'-hydroxy-3-(4-methoxyphenyl)sulfanylpropanimidamide
CID 43187755
3-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypropanimidamide
CID 76979743
5-[(3-chlorophenyl)methylamino]-N'-hydroxypentanimidamide
CID 77030098
methyl 2-amino-4-(3-chlorophenyl)sulfanylbutanoate
CID 63034938
[1-[2-(3-chlorophenyl)sulfanylethyl]cyclopropyl]methanamine
CID 84801438
5-chloro-2-(3-chlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide
CID 55101609
2-amino-4-(3-chlorophenyl)sulfanylbutanenitrile
CID 63053572

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)sulfanyl-N'-hydroxypropanimidamide?
The IUPAC name of 3-(3-chlorophenyl)sulfanyl-N'-hydroxypropanimidamide (CID 76947617) is 3-(3-chlorophenyl)sulfanyl-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-(3-chlorophenyl)sulfanyl-N'-hydroxypropanimidamide?
The canonical SMILES for 3-(3-chlorophenyl)sulfanyl-N'-hydroxypropanimidamide is NC(CCSc1cccc(Cl)c1)=NO.
What is the InChIKey of 3-(3-chlorophenyl)sulfanyl-N'-hydroxypropanimidamide?
The InChIKey is SZGLGASWKQIYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2OS/c10-7-2-1-3-8(6-7)14-5-4-9(11)12-13/h1-3,6,13H,4-5H2,(H2,11,12).
What are the key properties of 3-(3-chlorophenyl)sulfanyl-N'-hydroxypropanimidamide?
3-(3-chlorophenyl)sulfanyl-N'-hydroxypropanimidamide has a molecular weight of 230.72 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)sulfanyl-N'-hydroxypropanimidamide is sourced from PubChem (CID 76947617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).