6-(Thiophen-2-yl)-1,3,5-triazine-2,4-diamine
Basic information
- CAS
35841-87-3- Standard SMILES
Nc1nc(N)nc(-c2cccs2)n1- InChIKey
ATTKZMCIEMDLPY-UHFFFAOYSA-N- Molecular formula
- C7H7N5S
- Average molar mass
- 193.23 g/mol
- Monoisotopic mass
- 193.04221642
Names & identifiers
- Preferred name
- 6-(Thiophen-2-yl)-1,3,5-triazine-2,4-diamine
- IUPAC
- 6-thiophen-2-yl-1,3,5-triazine-2,4-diamine
- English name
- 6-(THIOPHEN-2-YL)-1,3,5-TRIAZINE-2,4-DIAMINE
- Molecular formula
- C7H7N5S
- Molecular weight
- 193.23
Names & synonyms
6-(thiophen-2-yl)-1,3,5-triazine-2,4-diamine35841-87-36-(2-Thienyl)-1,3,5-triazine-2,4-diamineMFCD084467351,3,5-Triazine-2,4-diamine, 6-(2-thienyl)-NSC697454NSC-298111NSC-6974546-thiophen-2-yl-1,3,5-triazine-2,4-diamineNSC-298121ENT 60103NSC 298111
Show more names
JR-6717, 6-(Thiophen-2-yl)-1,3,5-triazine-2,4-diamine, 97%
AI3-601032,4-diamino-6-(2-thienyl)-1,3,5-triazine92FP32A8NPSCHEMBL40117841,3,5-Triazine-2,4-diamine, 6-(2-thienyl)- (9CI)DTXSID40189383ENT-60103NSC298111
Database identifiers
- CAS
35841-87-3- PubChem CID
- 100430
- DTXSID
DTXSID40189383- UNII
- 92FP32A8NP
- Nikkaji
- J1.872.659I
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 168
Physicochemical properties
- Melting point
- 245 · 245-247 °C
- Boiling point
- 527 · 527.0±42.0 °C(Predicted)
- Density
- 1.504 · 1.504±0.06 g/cm3(Predicted)
- form
- solid
- pka
- 4.27 · 4.27±0.10(Predicted)
- InChI
- 1S/C7H7N5S/c8-6-10-5(11-7(9)12-6)4-2-1-3-13-4/h1-3H,(H4,8,9,10,11,12)
- InChIKey
- ATTKZMCIEMDLPY-UHFFFAOYSA-N
- SMILES
- N=C(N1)N=C(NC1=N)C2=CC=CS2
- FDA UNII
- 92 FP32A8NP · 92FP32A8NP
- UNSPSC Code
- 12352005 · 12352005
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H317-H319-H410
- Precautionary statements
- 273 · P273-P280-P301+P312+P330-P302+P352-P305+P351+P338
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralAquatic · Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Skin Irrit. 2Skin Sens. 1
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
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H317-H319-H410
- Hazard Classifications
- Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Skin Irrit. 2Skin Sens. 1
- Precautionary statements
- P273-P280-P301+P312+P330-P302+P352-P305+P351+P338
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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