1,3,5-trimethyl-2-(sulfinoiminomethyl)benzene

C10H13NO2S — CID 175764526

IUPAC1,3,5-trimethyl-2-(sulfinoiminomethyl)benzene
SMILESCc1cc(C)c(C=NS(=O)O)c(C)c1
InChIInChI=1S/C10H13NO2S/c1-7-4-8(2)10(9(3)5-7)6-11-14(12)13/h4-6H,1-3H3,(H,12,13)
InChIKeyDPVZKVPYKBHUKI-UHFFFAOYSA-N
MW211.29 g/mol
LogP2.17
Rot. Bonds2

About 1,3,5-trimethyl-2-(sulfinoiminomethyl)benzene

1,3,5-trimethyl-2-(sulfinoiminomethyl)benzene (PubChem CID 175764526) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 1,3,5-trimethyl-2-(sulfinoiminomethyl)benzene.

Molecular Properties

Compound Name1,3,5-trimethyl-2-(sulfinoiminomethyl)benzene
PubChem CID175764526
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name1,3,5-trimethyl-2-(sulfinoiminomethyl)benzene
SMILESCc1cc(C)c(C=NS(=O)O)c(C)c1
InChIInChI=1S/C10H13NO2S/c1-7-4-8(2)10(9(3)5-7)6-11-14(12)13/h4-6H,1-3H3,(H,12,13)
InChIKeyDPVZKVPYKBHUKI-UHFFFAOYSA-N
XLogP2.17
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]propanamide
CID 121263581
N,N'-bis[(2,4,6-trimethylphenyl)methylideneamino]hexanediamide
CID 5110124
bis(dimethylazanide);2,4-dimethyl-6-[(2,4,6-trimethylphenyl)methylideneamino]phenol;titanium(2+)
CID 23579022
(NE)-N-[(2,6-dimethylphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 87750973
N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]cyclopropanecarboxamide
CID 6910562
4-phenyl-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]benzamide
CID 6132987
4-methyl-N-[(2,4,6-trimethylphenyl)methylidene]benzenesulfonamide
CID 86015739
N-(5-methyl-1H-pyrrol-2-yl)-1-(2,4,6-trimethylphenyl)methanimine
CID 167672551
disilver;bis(gold(1+));tetrakis(2-[(2,4,6-trimethylphenyl)methylideneamino]benzenethiolate)
CID 139252269
2-hydroxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]benzamide
CID 6898847
2-ethenyl-1,3,5-trimethylbenzene
CID 158735169
2-(2-hydroxyethyl)-4,6-dimethylbenzaldehyde
CID 131744702

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-2-(sulfinoiminomethyl)benzene?
The IUPAC name of 1,3,5-trimethyl-2-(sulfinoiminomethyl)benzene (CID 175764526) is 1,3,5-trimethyl-2-(sulfinoiminomethyl)benzene.
What is the SMILES notation for 1,3,5-trimethyl-2-(sulfinoiminomethyl)benzene?
The canonical SMILES for 1,3,5-trimethyl-2-(sulfinoiminomethyl)benzene is Cc1cc(C)c(C=NS(=O)O)c(C)c1.
What is the InChIKey of 1,3,5-trimethyl-2-(sulfinoiminomethyl)benzene?
The InChIKey is DPVZKVPYKBHUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-7-4-8(2)10(9(3)5-7)6-11-14(12)13/h4-6H,1-3H3,(H,12,13).
What are the key properties of 1,3,5-trimethyl-2-(sulfinoiminomethyl)benzene?
1,3,5-trimethyl-2-(sulfinoiminomethyl)benzene has a molecular weight of 211.29 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-2-(sulfinoiminomethyl)benzene is sourced from PubChem (CID 175764526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).