2-[(E)-1-(3-chloro-2-methylsulfanylphenyl)propylideneamino]guanidine

C11H15ClN4S — CID 24987783

IUPAC2-[(E)-1-(3-chloro-2-methylsulfanylphenyl)propylideneamino]guanidine
SMILESCC/C(=N\N=C(N)N)c1cccc(Cl)c1SC
InChIInChI=1S/C11H15ClN4S/c1-3-9(15-16-11(13)14)7-5-4-6-8(12)10(7)17-2/h4-6H,3H2,1-2H3,(H4,13,14,16)/b15-9+
InChIKeyDLMPFDVNDQEPFF-OQLLNIDSSA-N
MW270.79 g/mol
LogP2.45
Rot. Bonds4

About 2-[(E)-1-(3-chloro-2-methylsulfanylphenyl)propylideneamino]guanidine

2-[(E)-1-(3-chloro-2-methylsulfanylphenyl)propylideneamino]guanidine (PubChem CID 24987783) has the molecular formula C11H15ClN4S and a molecular weight of 270.79 g/mol. Its IUPAC name is 2-[(E)-1-(3-chloro-2-methylsulfanylphenyl)propylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-1-(3-chloro-2-methylsulfanylphenyl)propylideneamino]guanidine
PubChem CID24987783
Molecular FormulaC11H15ClN4S
Molecular Weight270.79 g/mol
Exact Mass270.07
IUPAC Name2-[(E)-1-(3-chloro-2-methylsulfanylphenyl)propylideneamino]guanidine
SMILESCC/C(=N\N=C(N)N)c1cccc(Cl)c1SC
InChIInChI=1S/C11H15ClN4S/c1-3-9(15-16-11(13)14)7-5-4-6-8(12)10(7)17-2/h4-6H,3H2,1-2H3,(H4,13,14,16)/b15-9+
InChIKeyDLMPFDVNDQEPFF-OQLLNIDSSA-N
XLogP2.45
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.79
LogP ≤ 52.45
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-[(3-chloro-2-methylsulfanylphenyl)methylideneamino]guanidine
CID 68790902
2-[1-(3-chlorophenyl)propylideneamino]guanidine
CID 76872531
1-chloro-3-methyl-2-methylsulfanylbenzene;propane
CID 144523197
3-chloro-2-ethylsulfanyl-N,N-dimethylbenzamide
CID 10435549
2-[1-(4-hydroxyphenyl)propylideneamino]guanidine
CID 3526910
1,4-dichloro-2,3-bis(methylsulfanyl)benzene
CID 129229080
2-chloro-N'-diethoxyphosphorylbenzenecarboximidamide
CID 165350563
methyl N'-[(E)-(2,6-dichlorophenyl)methylideneamino]carbamimidothioate
CID 172916516
2-(1-phenylbutylideneamino)guanidine
CID 76872532
1-but-1-en-2-yl-3-chloro-2-fluorobenzene
CID 169245577
1-chloro-2-methylsulfanyl-3-propan-2-ylbenzene
CID 142329867
2-chloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide
CID 3567805

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-(3-chloro-2-methylsulfanylphenyl)propylideneamino]guanidine?
The IUPAC name of 2-[(E)-1-(3-chloro-2-methylsulfanylphenyl)propylideneamino]guanidine (CID 24987783) is 2-[(E)-1-(3-chloro-2-methylsulfanylphenyl)propylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-1-(3-chloro-2-methylsulfanylphenyl)propylideneamino]guanidine?
The canonical SMILES for 2-[(E)-1-(3-chloro-2-methylsulfanylphenyl)propylideneamino]guanidine is CC/C(=N\N=C(N)N)c1cccc(Cl)c1SC.
What is the InChIKey of 2-[(E)-1-(3-chloro-2-methylsulfanylphenyl)propylideneamino]guanidine?
The InChIKey is DLMPFDVNDQEPFF-OQLLNIDSSA-N. The full InChI is InChI=1S/C11H15ClN4S/c1-3-9(15-16-11(13)14)7-5-4-6-8(12)10(7)17-2/h4-6H,3H2,1-2H3,(H4,13,14,16)/b15-9+.
What are the key properties of 2-[(E)-1-(3-chloro-2-methylsulfanylphenyl)propylideneamino]guanidine?
2-[(E)-1-(3-chloro-2-methylsulfanylphenyl)propylideneamino]guanidine has a molecular weight of 270.79 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-(3-chloro-2-methylsulfanylphenyl)propylideneamino]guanidine is sourced from PubChem (CID 24987783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).