Basic information
- CAS
3264-02-6- Standard SMILES
c1ccc2sc(SN(Sc3nc4ccccc4s3)C3CCCCC3)nc2c1- InChIKey
WLYQQMMSTRZVRV-UHFFFAOYSA-N- Molecular formula
- C20H19N3S4
- Average molar mass
- 429.7 g/mol
- Monoisotopic mass
- 429.04618231
Names & identifiers
- Preferred name
- N-(Benzothiazol-2-ylthio)-N-cyclohexylbenzothiazole-2-sulphenamide
- IUPAC
- N,N-bis(1,3-benzothiazol-2-ylsulfanyl)cyclohexanamine
- English name
- N-(benzothiazol-2-ylthio)-N-cyclohexylbenzothiazole-2-sulphenamide
- Molecular formula
- C20H19N3S4
- Molecular weight
- 429.64
Names & synonyms
3264-02-6N-(Benzothiazol-2-ylthio)-N-cyclohexylbenzothiazole-2-sulphenamideEINECS 221-873-6SX2RRH7SRGSCHEMBL6678044DTXSID50186323WLYQQMMSTRZVRV-UHFFFAOYSA-NN-(2-Benzothiazolylthio)-N-cyclohexyl-2-benzothiazolesulfenamidedibenzothiazol-2-ylthiocyclohexylamineAKOS024273470ST000242NS00048128
Show more names
N,N-Bis[(benzothiazole-2-yl)thio]cyclohexanamine2,2'-[Cyclohexyliminobis(thio)]bis(benzothiazole)N,N-bis(1,3-benzothiazol-2-ylsulfanyl)cyclohexanamine
N,N-Bis[(1,3-benzothiazol-2-yl)sulfanyl]cyclohexanamine2-Benzothiazolesulfenamide, N-(2-benzothiazolylthio)-N-cyclohexyl-
Database identifiers
- CAS
3264-02-6- PubChem CID
- 76754
- DTXSID
DTXSID50186323- UNII
- SX2RRH7SRG
- EC Number
- 221-873-6
- Nikkaji
- J262.365J
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 456
Physicochemical properties
- Melting point
- 133 · 133-134 °C
- Boiling point
- 599.3 · 599.3±33.0 °C(Predicted)
- Density
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- pka
- -0.28 · -0.28±0.10(Predicted)
- FDA UNII
- 2 RRH7SRG · SX2RRH7SRG
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers15 total
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
陕西纬宇新材料有限公司13772052144 13772052144 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
武汉贝乐叶生物医药科技有限公司18086118076; 18086118070 · [email protected]
武汉卡诺斯科技有限公司153-37111468 15337111468 · [email protected]
康迪斯化工（湖北）有限公司13125172151 · [email protected]
武汉克米克生物医药技术有限公司027-13163388153 13163388153 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
湖北信康医药化工有限公司027-027-59308705 18871579363 · [email protected]
湖北科沃德化工有限公司027-83295551 13317178958 · [email protected]
武汉卡米克科技有限公司18162538168 · [email protected]
腾鸿（山东）新材料有限公司1555-2555846 18265060865 · [email protected]
CD Chemical Group Limited+86-13651442114 · [email protected]
常州市宣明医药科技有限公司85525329 15961429598 · [email protected]
武汉市聚舜化工有限公司13349917800 13349917800 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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