2-[(3-chloro-2-methylsulfanylphenyl)methylideneamino]guanidine

C9H11ClN4S — CID 68790902

IUPAC2-[(3-chloro-2-methylsulfanylphenyl)methylideneamino]guanidine
SMILESCSc1c(Cl)cccc1C=NN=C(N)N
InChIInChI=1S/C9H11ClN4S/c1-15-8-6(3-2-4-7(8)10)5-13-14-9(11)12/h2-5H,1H3,(H4,11,12,14)
InChIKeyJQPVTKVUFMXMGY-UHFFFAOYSA-N
MW242.74 g/mol
LogP1.67
Rot. Bonds3

About 2-[(3-chloro-2-methylsulfanylphenyl)methylideneamino]guanidine

2-[(3-chloro-2-methylsulfanylphenyl)methylideneamino]guanidine (PubChem CID 68790902) has the molecular formula C9H11ClN4S and a molecular weight of 242.74 g/mol. Its IUPAC name is 2-[(3-chloro-2-methylsulfanylphenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(3-chloro-2-methylsulfanylphenyl)methylideneamino]guanidine
PubChem CID68790902
Molecular FormulaC9H11ClN4S
Molecular Weight242.74 g/mol
Exact Mass242.04
IUPAC Name2-[(3-chloro-2-methylsulfanylphenyl)methylideneamino]guanidine
SMILESCSc1c(Cl)cccc1C=NN=C(N)N
InChIInChI=1S/C9H11ClN4S/c1-15-8-6(3-2-4-7(8)10)5-13-14-9(11)12/h2-5H,1H3,(H4,11,12,14)
InChIKeyJQPVTKVUFMXMGY-UHFFFAOYSA-N
XLogP1.67
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.74
LogP ≤ 51.67
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-1-(3-chloro-2-methylsulfanylphenyl)propylideneamino]guanidine
CID 24987783
2-[(E)-(2-chloro-3,5-difluorophenyl)methylideneamino]guanidine;2-[(E)-(3-chloro-2-fluorophenyl)methylideneamino]guanidine;ethane
CID 145167086
methyl N'-[(E)-(2,6-dichlorophenyl)methylideneamino]carbamimidothioate
CID 172916516
acetic acid;2-[(2,3-difluorophenyl)methylideneamino]guanidine
CID 66841721
2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 44522071
2-[(8-methoxynaphthalen-1-yl)methylideneamino]guanidine
CID 168591904
methyl N'-[(Z)-(2-fluorophenyl)methylideneamino]carbamimidothioate
CID 6850944
2-[(4-amino-2-chlorophenyl)methylideneamino]guanidine;hydrochloride
CID 171369925
[3-chloro-2-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl] acetate
CID 146217397
2-[(2,6-dimethylphenyl)methylideneamino]guanidine
CID 72725816
2-chloro-4-[2-[(diaminomethylidenehydrazinylidene)methyl]phenyl]benzoic acid
CID 168592810
2-[(E)-[2-[(4-chlorophenyl)methoxy]-3-fluorophenyl]methylideneamino]guanidine
CID 16728633

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-methylsulfanylphenyl)methylideneamino]guanidine?
The IUPAC name of 2-[(3-chloro-2-methylsulfanylphenyl)methylideneamino]guanidine (CID 68790902) is 2-[(3-chloro-2-methylsulfanylphenyl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(3-chloro-2-methylsulfanylphenyl)methylideneamino]guanidine?
The canonical SMILES for 2-[(3-chloro-2-methylsulfanylphenyl)methylideneamino]guanidine is CSc1c(Cl)cccc1C=NN=C(N)N.
What is the InChIKey of 2-[(3-chloro-2-methylsulfanylphenyl)methylideneamino]guanidine?
The InChIKey is JQPVTKVUFMXMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4S/c1-15-8-6(3-2-4-7(8)10)5-13-14-9(11)12/h2-5H,1H3,(H4,11,12,14).
What are the key properties of 2-[(3-chloro-2-methylsulfanylphenyl)methylideneamino]guanidine?
2-[(3-chloro-2-methylsulfanylphenyl)methylideneamino]guanidine has a molecular weight of 242.74 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-methylsulfanylphenyl)methylideneamino]guanidine is sourced from PubChem (CID 68790902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).