S-[3-methyl-4-(methylamino)phenyl]thiohydroxylamine

C8H12N2S — CID 142167305

IUPACS-[3-methyl-4-(methylamino)phenyl]thiohydroxylamine
SMILESCNc1ccc(SN)cc1C
InChIInChI=1S/C8H12N2S/c1-6-5-7(11-9)3-4-8(6)10-2/h3-5,10H,9H2,1-2H3
InChIKeyYSJVSOPCWHQLFT-UHFFFAOYSA-N
MW168.26 g/mol
LogP2.00
Rot. Bonds2

About S-[3-methyl-4-(methylamino)phenyl]thiohydroxylamine

S-[3-methyl-4-(methylamino)phenyl]thiohydroxylamine (PubChem CID 142167305) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is S-[3-methyl-4-(methylamino)phenyl]thiohydroxylamine.

Molecular Properties

Compound NameS-[3-methyl-4-(methylamino)phenyl]thiohydroxylamine
PubChem CID142167305
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC NameS-[3-methyl-4-(methylamino)phenyl]thiohydroxylamine
SMILESCNc1ccc(SN)cc1C
InChIInChI=1S/C8H12N2S/c1-6-5-7(11-9)3-4-8(6)10-2/h3-5,10H,9H2,1-2H3
InChIKeyYSJVSOPCWHQLFT-UHFFFAOYSA-N
XLogP2.00
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 69137
Benzenamine, N-ethyl-2-methyl-
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2,3-dihydro-1H-indole-5-sulfonamide
CID 8027252
N-Allyl-ortho-toluidine
CID 250708
2-ethyl-N-methylaniline
CID 6427075
N,N-Dimethylindoline-5-Sulfonamide
CID 2736127
N,N-Dimethyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 221211
N-methyl-2,3-dihydro-1H-indole-5-sulfonamide
CID 6502484
N,N-diethyl-2,3-dihydro-1H-indole-5-sulfonamide
CID 7064087
2-Methyl-2,3-dihydro-1H-indole-5-sulfonamide
CID 16227039
4-(Methylamino)benzenecarbothioamide
CID 3000566

Frequently Asked Questions

What is the IUPAC name of S-[3-methyl-4-(methylamino)phenyl]thiohydroxylamine?
The IUPAC name of S-[3-methyl-4-(methylamino)phenyl]thiohydroxylamine (CID 142167305) is S-[3-methyl-4-(methylamino)phenyl]thiohydroxylamine.
What is the SMILES notation for S-[3-methyl-4-(methylamino)phenyl]thiohydroxylamine?
The canonical SMILES for S-[3-methyl-4-(methylamino)phenyl]thiohydroxylamine is CNc1ccc(SN)cc1C.
What is the InChIKey of S-[3-methyl-4-(methylamino)phenyl]thiohydroxylamine?
The InChIKey is YSJVSOPCWHQLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-6-5-7(11-9)3-4-8(6)10-2/h3-5,10H,9H2,1-2H3.
What are the key properties of S-[3-methyl-4-(methylamino)phenyl]thiohydroxylamine?
S-[3-methyl-4-(methylamino)phenyl]thiohydroxylamine has a molecular weight of 168.26 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-[3-methyl-4-(methylamino)phenyl]thiohydroxylamine is sourced from PubChem (CID 142167305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).