6-Amino-2-n-pentylthiobenzothiazole
Basic information
- CAS
73844-29-8- Standard SMILES
CCCCCSc1nc2ccc(N)cc2s1- InChIKey
LOMPLISLGNPRKZ-UHFFFAOYSA-N- Molecular formula
- C12H16N2S2
- Average molar mass
- 252.4 g/mol
- Monoisotopic mass
- 252.07549087
Overview
structure given in first source
Names & identifiers
- Preferred name
- 6-Amino-2-n-pentylthiobenzothiazole
- IUPAC
- 2-pentylsulfanyl-1,3-benzothiazol-6-amine
- English name
- 6-Amino-2-n-pentylthiobenzothiazole
- Molecular formula
- C12H16N2S2
- Molecular weight
- 252.4
Names & synonyms
73844-29-86-Amino-2-n-pentylthiobenzothiazoleAPTBTDTXSID90224415RefChem:104179DTXCID901469062-(pentylsulfanyl)-1,3-benzothiazol-6-amine2-(Pentylthio)benzo[d]thiazol-6-amine2-pentylsulfanyl-1,3-benzothiazol-6-amine2-(Pentylthio)-6-benzothiazolamine6-Benzothiazolamine,2-(pentylthio)-SCHEMBL303693
Show more names
6-Benzothiazolamine, 2-(pentylthio)-AKOS010615655CS-0263173EN300-85436Z808244670
Database identifiers
- CAS
73844-29-8- PubChem CID
- 189799
- DTXSID
DTXSID90224415- Nikkaji
- J583.343D
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 92.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 213
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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