Dimethyl[3-[[(2'-methyl[2,4'-bithiazol]-4-yl)carbonyl]amino]propyl]sulfonium
Basic information
- CAS
787501-44-4- Standard SMILES
Cc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1- InChIKey
BTJBOLSVLROWEF-UHFFFAOYSA-O- Molecular formula
- C13H18N3OS3+
- Average molar mass
- 328.5 g/mol
- Monoisotopic mass
- 328.06120073
Names & identifiers
- Preferred name
- Dimethyl[3-[[(2'-methyl[2,4'-bithiazol]-4-yl)carbonyl]amino]propyl]sulfonium
- IUPAC
- dimethyl-[3-[[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole-4-carbonyl]amino]propyl]sulfanium
Names & synonyms
AV36J277V8Dimethyl[3-[[(2'-methyl[2,4'-bithiazol]-4-yl)carbonyl]amino]propyl]sulfoniumSulfonium, dimethyl[3-[[(2'-methyl[2,4'-bithiazol]-4-yl)carbonyl]amino]propyl]-787501-44-4
Database identifiers
- CAS
787501-44-4- PubChem CID
- 72645
- UNII
- AV36J277V8
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 1
- Complexity
- 330
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Compound notes
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