Basic information
- CAS
4074-74-2- Standard SMILES
CN(C)c1nc2ccccc2s1- InChIKey
RIHDPQKLSOXBOH-UHFFFAOYSA-N- Molecular formula
- C9H10N2S
- Average molar mass
- 178.26 g/mol
- Monoisotopic mass
- 178.0564695
Names & identifiers
- Preferred name
- N,N-Dimethyl-2-benzothiazolamine
- IUPAC
- N,N-dimethyl-1,3-benzothiazol-2-amine
- English name
- 2-Benzothiazolamine,N,N-dimethyl-(9CI)
- Molecular formula
- C9H10N2S
- Molecular weight
- 178.25
Names & synonyms
N,N-Dimethyl-2-Benzothiazolamine4074-74-2BENZOTHIAZOLE, 2-DIMETHYLAMINO-DTXSID40193728RefChem:1090532DTXCID80116219N,N-dimethyl-1,3-benzothiazol-2-amineN,N-dimethylbenzo[d]thiazol-2-amine2-Dimethylaminobenzothiazole2-Benzothiazolamine, N,N-dimethyl-MFCD00613409BRN 0124089
Show more names
N,N-dimethyl-2-benzenebenzothiazoleamine
N,N-Dimethylbenzothiazol-2-amine2-Benzothiazolamine,N,N-dimethyl-(9CI)DBG5SE4K36SCHEMBL2495947SCHEMBL3887904SCHEMBL182304531,3-benzothiazol-2-yl(dimethyl)amineAKOS030227973
Database identifiers
- CAS
4074-74-2- PubChem CID
- 19995
- DTXSID
DTXSID40193728- UNII
- DBG5SE4K36
- Nikkaji
- J41.956G
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 44.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Melting point
- 87 °C · 87 °C
- Boiling point
- 265.8 · 265.8±23.0 °C(Predicted)
- Density
- 1.235 · 1.235±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 4.17 · 4.17±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P302+P352-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers13 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
天津林宸科技有限公司15122256084 15122256084 · [email protected]
天津狄克特科技有限公司22-58627059 13920586291 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
上海瀚思化工有限公司17717618050 · [email protected]
Shanghai Daken Advanced Materials Co.,Ltd+86-2158073036 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
河南威梯希化工科技有限公司0371-63284658 18135795563 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…