Basic information
- CAS
24170-48-7- Standard SMILES
CS(=O)(=O)c1ccc2nc(N=Nc3ccc(N(CCO)CCC#N)cc3)sc2c1- InChIKey
ZDFGMUPYJLPKGD-UHFFFAOYSA-N- Molecular formula
- C19H19N5O3S2
- Average molar mass
- 429.5 g/mol
- Monoisotopic mass
- 429.09293183
Names & identifiers
- Preferred name
- Propanenitrile, 3-((2-hydroxyethyl)(4-(2-(6-(methylsulfonyl)-2-benzothiazolyl)diazenyl)phenyl)amino)-
- IUPAC
- 3-[N-(2-hydroxyethyl)-4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)diazenyl]anilino]propanenitrile
- English name
- 3-[(2-hydroxyethyl)[4-[[6-(methylsulphonyl)benzothiazol-2-yl]azo]phenyl]amino]propiononitrile
- Molecular formula
- C19H19N5O3S2
- Molecular weight
- 429.52
Names & synonyms
Propanenitrile, 3-[(2-hydroxyethyl)[4-[[6-(methylsulfonyl)-2-benzothiazolyl]azo]phenyl]amino]-EINECS 246-057-73-[(2-Hydroxyethyl)[4-[2-[6-(methylsulfonyl)-2-benzothiazolyl]diazenyl]phenyl]amino]propanenitrileDTXSID40669633-((2-Hydroxyethyl)(4-((6-(methylsulphonyl)benzothiazol-2-yl)azo)phenyl)amino)propiononitrile3-[(2-hydroxyethyl)[4-[[6-(methylsulphonyl)benzothiazol-2-yl]azo]phenyl]amino]propiononitrilePropanenitrile, 3-((2-hydroxyethyl)(4-((6-(methylsulfonyl)-2-benzothiazolyl)azo)phenyl)amino)-Propanenitrile, 3-((2-hydroxyethyl)(4-(2-(6-(methylsulfonyl)-2-benzothiazolyl)diazenyl)phenyl)amino)-3-((2-Hydroxyethyl)(4-(2-(6-(methylsulfonyl)-2-benzothiazolyl)diazenyl)phenyl)amino)propanenitrilePropanenitrile, 3-[(2-hydroxyethyl)[4-[2-[6-(methylsulfonyl)-2-benzothiazolyl]diazenyl]phenyl]amino]-RefChem:869038DTXCID5037020
Show more names
Disperse Red 137C.I. Disperse Red 137 press cakeN-(2-Cyanoethyl)-N-(2-hydroxyethyl)-4-[6-(methylsulfonyl)benzothiazole-2-ylazo]aniline
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 709
Physicochemical properties
- Boiling point
- 734.5 · 734.5±70.0 °C(Predicted)
- Density
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- pka
- 14.35 · 14.35±0.10(Predicted)
- InChI
- InChI=1S/C19H19N5O3S2/c1-29(26,27)16-7-8-17-18(13-16)28-19(21-17)23-22-14-3-5-15(6-4-14)24(11-12-25)10-2-9-20/h3-8,13,25H,2,10-12H2,1H3
- InChIKey
- ZDFGMUPYJLPKGD-UHFFFAOYSA-N
- SMILES
- C(#N)CCN(CCO)C1=CC=C(N=NC2=NC3=CC=C(S(C)(=O)=O)C=C3S2)C=C1
- EPA Substance Registry System
- 3 · Propanenitrile, 3-[(2-hydroxyethyl)[4-[[6-(methylsulfonyl)-2-benzothiazolyl]azo]phenyl]amino]- (24170-48-7)
- 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.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (18 of 18) of all reports.
Not Classified
Aggregated GHS information provided per 18 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: Propanenitrile, 3-[(2-hydroxyethyl)[4-[[6-(methylsulfonyl)-2-benzothiazolyl]azo]phenyl]amino]-
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanenitrile, 3-[(2-hydroxyethyl)[4-[2-[6-(methylsulfonyl)-2-benzothiazolyl]diazenyl]phenyl]amino]-: ACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers19 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
怀化市冰峰化工有限公司0745-2866851 17711757908 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
山东鑫牧源化工科技有限公司19105383610 · [email protected]
湖北齐飞医药化工有限公司027-59322506 18071128681 · [email protected]
济宁一泽医药科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…