2-chloro-6-(2-hydroxyethylsulfanyl)benzenecarboximidamide

C9H11ClN2OS — CID 62495701

IUPAC2-chloro-6-(2-hydroxyethylsulfanyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1SCCO
InChIInChI=1S/C9H11ClN2OS/c10-6-2-1-3-7(14-5-4-13)8(6)9(11)12/h1-3,13H,4-5H2,(H3,11,12)
InChIKeyZPEPZKPRFQNAKY-UHFFFAOYSA-N
MW230.72 g/mol
LogP1.71
Rot. Bonds4

About 2-chloro-6-(2-hydroxyethylsulfanyl)benzenecarboximidamide

2-chloro-6-(2-hydroxyethylsulfanyl)benzenecarboximidamide (PubChem CID 62495701) has the molecular formula C9H11ClN2OS and a molecular weight of 230.72 g/mol. Its IUPAC name is 2-chloro-6-(2-hydroxyethylsulfanyl)benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-6-(2-hydroxyethylsulfanyl)benzenecarboximidamide
PubChem CID62495701
Molecular FormulaC9H11ClN2OS
Molecular Weight230.72 g/mol
Exact Mass230.03
IUPAC Name2-chloro-6-(2-hydroxyethylsulfanyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1SCCO
InChIInChI=1S/C9H11ClN2OS/c10-6-2-1-3-7(14-5-4-13)8(6)9(11)12/h1-3,13H,4-5H2,(H3,11,12)
InChIKeyZPEPZKPRFQNAKY-UHFFFAOYSA-N
XLogP1.71
TPSA70.10 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.72
LogP ≤ 51.71
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-hydroxyethylsulfanyl)benzenecarboximidamide?
The IUPAC name of 2-chloro-6-(2-hydroxyethylsulfanyl)benzenecarboximidamide (CID 62495701) is 2-chloro-6-(2-hydroxyethylsulfanyl)benzenecarboximidamide.
What is the SMILES notation for 2-chloro-6-(2-hydroxyethylsulfanyl)benzenecarboximidamide?
The canonical SMILES for 2-chloro-6-(2-hydroxyethylsulfanyl)benzenecarboximidamide is [H]/N=C(\N)c1c(Cl)cccc1SCCO.
What is the InChIKey of 2-chloro-6-(2-hydroxyethylsulfanyl)benzenecarboximidamide?
The InChIKey is ZPEPZKPRFQNAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2OS/c10-6-2-1-3-7(14-5-4-13)8(6)9(11)12/h1-3,13H,4-5H2,(H3,11,12).
What are the key properties of 2-chloro-6-(2-hydroxyethylsulfanyl)benzenecarboximidamide?
2-chloro-6-(2-hydroxyethylsulfanyl)benzenecarboximidamide has a molecular weight of 230.72 g/mol, XLogP of 1.71, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-hydroxyethylsulfanyl)benzenecarboximidamide is sourced from PubChem (CID 62495701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).