N,N-Bis(1,3-benzothiazol-2-ylsulfanyl)-2-propanamine

Substructure search Find similar structures

Basic information

CAS: 3741-79-5
Standard SMILES: CC(C)N(Sc1nc2ccccc2s1)Sc1nc2ccccc2s1
InChIKey: VLCRVKLKSVZMRV-UHFFFAOYSA-N
Molecular formula: C17H15N3S4
Average molar mass: 389.6 g/mol
Monoisotopic mass: 389.01488219

Names & identifiers

Preferred name: N,N-Bis(1,3-benzothiazol-2-ylsulfanyl)-2-propanamine
IUPAC: N,N-bis(1,3-benzothiazol-2-ylsulfanyl)propan-2-amine
English name: N-benzothiazol-2-ylsulfanyl-N-propan-2-yl-benzothiazole-2-sulfenamide
Molecular formula: C17H15N3S4
Molecular weight: 0

Names & synonyms

3741-79-5N,N-Bis(1,3-benzothiazol-2-ylsulfanyl)-2-propanamineNSC19643SCHEMBL9701728DTXSID50958502NSC-19643N,N-Bis[(1,3-benzothiazol-2-yl)sulfanyl]propan-2-amineN-benzothiazol-2-ylsulfanyl-N-propan-2-yl-benzothiazole-2-sulfenamide

Database identifiers

CAS: 3741-79-5
PubChem CID: 227690
DTXSID: DTXSID50958502
Nikkaji: J668.656G

Properties

Computed structural properties

XLogP: 6.6
Topological polar surface area: 136 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 5
Heavy atoms: 24
Formal charge: 0
Complexity: 391

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…