Benzenamine, 4-methyl-N-sulfinyl-
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Basic information
- CAS
15795-42-3- Standard SMILES
Cc1ccc(N=S=O)cc1- InChIKey
KLHMRBYLBVCGDT-UHFFFAOYSA-N- Molecular formula
- C7H7NOS
- Average molar mass
- 153.2 g/mol
- Monoisotopic mass
- 153.02483484
Names & identifiers
- Preferred name
- Benzenamine, 4-methyl-N-sulfinyl-
- IUPAC
- 1-methyl-4-(sulfinylamino)benzene
- English name
- N-Sulfinyl-p-toluidine
- Molecular formula
- C7H7NOS
- Molecular weight
- 153.2
Names & synonyms
1-methyl-4-(sulfinylamino)benzene15795-42-3Benzenamine, 4-methyl-N-sulfinyl-N-Sulfinyl-p-toluidineThionyl-p-toluidinep-Toluidine, N-sulfinyl-p-Tolylsulfinylamine4-Methyl-N-sulfinylanilinep-Methyl-N-sulfinylaniline4-METHYL-N-(OXO-??-SULFANYLIDENE)ANILINE4-Methyl-N-sulfinylbenzenamineMFCD00045700
Show more names
NSC-77661benzene, 1-methyl-4-(sulfinylamino)-Benzenamine,4-methyl-N-sulfinyl-NSC77661GYQ735AM5KN-P-TOLYLSULFINYLAMINESCHEMBL11763217DTXSID00166332
Database identifiers
- CAS
15795-42-3- PubChem CID
- 139976
- DTXSID
DTXSID00166332- UNII
- GYQ735AM5K
- Nikkaji
- J100.096I、J2.554.933C
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 30.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 146
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Boiling point
- 107 °C · 107 °C(Press: 22 Torr)
- Density
- 1.1847 g/cm3 · 1.1847 g/cm3(Temp: 20.0 °C)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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