2-(4-ethylsulfanylphenyl)guanidine

C9H13N3S — CID 3012595

IUPAC2-(4-ethylsulfanylphenyl)guanidine
SMILESCCSc1ccc(N=C(N)N)cc1
InChIInChI=1S/C9H13N3S/c1-2-13-8-5-3-7(4-6-8)12-9(10)11/h3-6H,2H2,1H3,(H4,10,11,12)
InChIKeyHQTQZLOBGMCPIN-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.70
Rot. Bonds3

About 2-(4-ethylsulfanylphenyl)guanidine

2-(4-ethylsulfanylphenyl)guanidine (PubChem CID 3012595) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is 2-(4-ethylsulfanylphenyl)guanidine.

Molecular Properties

Compound Name2-(4-ethylsulfanylphenyl)guanidine
PubChem CID3012595
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC Name2-(4-ethylsulfanylphenyl)guanidine
SMILESCCSc1ccc(N=C(N)N)cc1
InChIInChI=1S/C9H13N3S/c1-2-13-8-5-3-7(4-6-8)12-9(10)11/h3-6H,2H2,1H3,(H4,10,11,12)
InChIKeyHQTQZLOBGMCPIN-UHFFFAOYSA-N
XLogP1.70
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4,4'-Thiodianiline
CID 8765
4-(Methylthio)aniline
CID 66038
S-Ethyl-N-Phenyl-Isothiourea
CID 347590
2-(Isopropylthio)aniline
CID 13852720
S-ethyl-1-phenylisothiourea hydroiodide
CID 20226089
1-(4-Phenylsulfanylphenyl)guanidine
CID 3012613
2-(4-Methylsulfanylphenyl)guanidine
CID 4404280
N-{4-[(trifluoromethyl)sulfanyl]phenyl}dicarbonimido/ic diamide/imido
CID 15945046
4-(Tert-butylsulfanyl)aniline
CID 10910177
4-(Methylthio)phenyl isothiocyanate
CID 519185
4-(Methylthio)phenyl isocyanate
CID 2733316
2-(Ethylthio)aniline
CID 10149009

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfanylphenyl)guanidine?
The IUPAC name of 2-(4-ethylsulfanylphenyl)guanidine (CID 3012595) is 2-(4-ethylsulfanylphenyl)guanidine.
What is the SMILES notation for 2-(4-ethylsulfanylphenyl)guanidine?
The canonical SMILES for 2-(4-ethylsulfanylphenyl)guanidine is CCSc1ccc(N=C(N)N)cc1.
What is the InChIKey of 2-(4-ethylsulfanylphenyl)guanidine?
The InChIKey is HQTQZLOBGMCPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S/c1-2-13-8-5-3-7(4-6-8)12-9(10)11/h3-6H,2H2,1H3,(H4,10,11,12).
What are the key properties of 2-(4-ethylsulfanylphenyl)guanidine?
2-(4-ethylsulfanylphenyl)guanidine has a molecular weight of 195.29 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfanylphenyl)guanidine is sourced from PubChem (CID 3012595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).