2-methyl-1-(4-methylsulfanylphenyl)guanidine

C9H13N3S — CID 62380340

IUPAC2-methyl-1-(4-methylsulfanylphenyl)guanidine
SMILESC/N=C(\N)Nc1ccc(SC)cc1
InChIInChI=1S/C9H13N3S/c1-11-9(10)12-7-3-5-8(13-2)6-4-7/h3-6H,1-2H3,(H3,10,11,12)
InChIKeyJBDLFYGMBPNPAV-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.76
Rot. Bonds2

About 2-methyl-1-(4-methylsulfanylphenyl)guanidine

2-methyl-1-(4-methylsulfanylphenyl)guanidine (PubChem CID 62380340) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is 2-methyl-1-(4-methylsulfanylphenyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-(4-methylsulfanylphenyl)guanidine
PubChem CID62380340
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC Name2-methyl-1-(4-methylsulfanylphenyl)guanidine
SMILESC/N=C(\N)Nc1ccc(SC)cc1
InChIInChI=1S/C9H13N3S/c1-11-9(10)12-7-3-5-8(13-2)6-4-7/h3-6H,1-2H3,(H3,10,11,12)
InChIKeyJBDLFYGMBPNPAV-UHFFFAOYSA-N
XLogP1.76
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.76
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

1-[4-(difluoromethylsulfanyl)phenyl]-2-methylguanidine
CID 62380007
1-(4-chlorophenyl)-2-methylguanidine
CID 20543496
1-[4-(dimethylamino)phenyl]-2-methylguanidine
CID 62381292
(4-methylsulfanylphenyl)carbamodithioic acid
CID 134086802
methyl N'-(4-methylsulfanylphenyl)carbamimidothioate
CID 130017977
N'-(4-methylsulfanylphenyl)butanediamide
CID 142651980
2-amino-2-methyl-N-(4-methylsulfanylphenyl)propanamide
CID 61265174
3-[4-[(N'-methylcarbamimidoyl)amino]phenyl]propanoic acid
CID 68909409
(2S)-2-amino-N-(4-methylsulfanylphenyl)propanamide;hydrochloride
CID 119273769
2-amino-N-(4-methylsulfanylphenyl)propanamide;hydrochloride
CID 119273773
2-amino-2-ethyl-N-(4-methylsulfanylphenyl)butanamide
CID 79809132
1,4-bis(methylsulfanyl)benzene;methanol
CID 143321779

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylsulfanylphenyl)guanidine?
The IUPAC name of 2-methyl-1-(4-methylsulfanylphenyl)guanidine (CID 62380340) is 2-methyl-1-(4-methylsulfanylphenyl)guanidine.
What is the SMILES notation for 2-methyl-1-(4-methylsulfanylphenyl)guanidine?
The canonical SMILES for 2-methyl-1-(4-methylsulfanylphenyl)guanidine is C/N=C(\N)Nc1ccc(SC)cc1.
What is the InChIKey of 2-methyl-1-(4-methylsulfanylphenyl)guanidine?
The InChIKey is JBDLFYGMBPNPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S/c1-11-9(10)12-7-3-5-8(13-2)6-4-7/h3-6H,1-2H3,(H3,10,11,12).
What are the key properties of 2-methyl-1-(4-methylsulfanylphenyl)guanidine?
2-methyl-1-(4-methylsulfanylphenyl)guanidine has a molecular weight of 195.29 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylsulfanylphenyl)guanidine is sourced from PubChem (CID 62380340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).