Basic information
- CAS
6268-26-4- Standard SMILES
Nc1ccc(NC(=S)Nc2ccc(N)cc2)cc1- InChIKey
BOXVYMDQQMOOGS-UHFFFAOYSA-N- Molecular formula
- C13H14N4S
- Average molar mass
- 258.34 g/mol
- Monoisotopic mass
- 258.09391764
Names & identifiers
- Preferred name
- 1,3-Bis(4-aminophenyl)thiourea
- IUPAC
- 1,3-bis(4-aminophenyl)thiourea
- English name
- 4,4'-Thioureylenebisaniline
- Molecular formula
- C13H14N4S
- Molecular weight
- 258.34
Names & synonyms
1,3-bis(4-aminophenyl)thiourea6268-26-44,4'-ThioureylenebisanilineTHIOUREA, N,N-BIS (4-AMINOPHENYL)-Carbanilide,4'-diaminothio-Thiocarbanilide,4'-diamino-Thiourea,N'-bis(4-aminophenyl)-NSC52955Thiourea, N,N'-bis(4-aminophenyl)-4,4'-DiaminothiocarbanilideCHEMBL9729DTXSID00410347
Show more names
1,3-Bis(4-aminophenyl)thiourea - [B94359]
N,N'-Bis(4-aminophenyl)thiourea1,3-bis(4-aminophenyl)isothioureaNSC37102MFCD32194958NSC-37102NSC-52955N,N'-bis-(4-amino-phenyl)-thioureaDS-012487
Database identifiers
- CAS
6268-26-4- PubChem CID
- 5212366
- DTXSID
DTXSID00410347- ChEMBL
CHEMBL9729- Nikkaji
- J9.595H
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 242
Physicochemical properties
- storage temp.
- 2 · 2-8°C, protect from light
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses4,4'-Thioureylenebisaniline is used as a monomer for the synthesis of COF materials: COF-TPTU.
Suppliers16 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
山东李比希生物医药科技有限公司17866677155 · [email protected]
吉林中科研伸科技有限公司0431-80534353 19917294565 · [email protected]
河南普赛化工产品有限公司0371-63357898 · [email protected]
郑州艾克姆化工有限公司0371-0371-55629727 13323845623 · [email protected]
河南威梯希化工科技有限公司0371-53732842 13383863444 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
白银乐天园化学有限责任公司0943-8627236 18194330484 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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