Basic information
- CAS
13313-45-6- Standard SMILES
CSc1cccc(Nc2ccccc2)c1- InChIKey
NGTRZJDYCCOXBA-UHFFFAOYSA-N- Molecular formula
- C13H13NS
- Average molar mass
- 215.32 g/mol
- Monoisotopic mass
- 215.07687059
Names & identifiers
- Preferred name
- Benzenamine, 3-(methylthio)-N-phenyl-
- IUPAC
- 3-methylsulfanyl-N-phenylaniline
- English name
- 3-(methylthio)-N-phenylaniline
- Molecular formula
- C13H13NS
- Molecular weight
- 215.31
Names & synonyms
Benzenamine, 3-(methylthio)-N-phenyl-EINECS 236-342-4RefChem:5617163-(Methylthio)-N-phenylaniline13313-45-63-methylsulfanyl-N-phenylaniline3-(Methylthio)diphenylamine3-(methylsulfanyl)-n-phenylaniline3-(Methylthio)-N-phenylbenzenamineN1-PHENYL-3-METHYLTHIOANILINEBX9YL26URT3-(Methylthio)phenylaniline
Show more names
3-(Methylthio)-diphenylamine
SCHEMBL2279440SCHEMBL9187556DTXSID7065411NGTRZJDYCCOXBA-UHFFFAOYSA-NAKOS016005590DB-062955NS00024267
Database identifiers
- CAS
13313-45-6- PubChem CID
- 83333
- DTXSID
DTXSID7065411- UNII
- BX9YL26URT
- EC Number
- 236-342-4
- Nikkaji
- J213.831J
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 177
Physicochemical properties
- Melting point
- 59 · 59-61 °C(Solv: ethanol (64-17-5))
- Boiling point
- 152 · 152-156 °C(Press: 0.05 Torr)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 0.38 · 0.38±0.30(Predicted)
- EPA Substance Registry System
- 3 · 3-(Methylthio)diphenylamine (13313-45-6)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenamine, 3-(methylthio)-N-phenyl-: INACTIVE
Suppliers16 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
湖北鑫源顺医药化工有限公司13971561712, 13995564702, 027-50664929 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
浙江寿尔福化工贸易有限公司0571-88906230 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
SUZHOU SENFEIDA CHEMICAL CO.,LTD+86-0512-83500002 +86-15195660023 · [email protected]
SHANGHAI YOUNG-CHEM CHEMICAL CO., LTD.13817489192 · [email protected]
湖南永齐化工有限公司0731-85561035 13319583233 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…