Cas no 119393-94-1 (2H-Imidazole-2-thione, 1-butyl-1,3-dihydro-3-methyl-)
119393-94-1 structure
Product Name:2H-Imidazole-2-thione, 1-butyl-1,3-dihydro-3-methyl-
CAS No:119393-94-1
MF:C8H14N2S
MW:170.275160312653
CID:1211477
PubChem ID:11116499
Update Time:2025-04-20
2H-Imidazole-2-thione, 1-butyl-1,3-dihydro-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2H-Imidazole-2-thione, 1-butyl-1,3-dihydro-3-methyl-
- 1-butyl-3-methylimidazole-2-thione
- DTXSID00455733
- 1-methyl-3-(1-butyl)-2(3h)-imidazolethione
- SCHEMBL587358
- 119393-94-1
-
- Inchi： 1S/C8H14N2S/c1-3-4-5-10-7-6-9(2)8(10)11/h6-7H,3-5H2,1-2H3
- InChI Key： SFFDSIGHGYILMM-UHFFFAOYSA-N
- SMILES： S=C1N(C)C=CN1CCCC
Computed Properties
- Exact Mass: 170.08792
- Monoisotopic Mass: 170.08776963g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 177
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.4
- Topological Polar Surface Area: 38.6?2
Experimental Properties
- PSA: 24.06
2H-Imidazole-2-thione, 1-butyl-1,3-dihydro-3-methyl- Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
119393-94-1 (2H-Imidazole-2-thione, 1-butyl-1,3-dihydro-3-methyl-) Related Products
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