Cas no 13217-94-2 (Butanethioamide,N,N-dibutyl-)
Butanethioamide,N,N-dibutyl- structure
Product Name:Butanethioamide,N,N-dibutyl-
CAS No:13217-94-2
MF:C12H25NS
MW:215.398602247238
CID:119386
PubChem ID:45118615
Update Time:2025-04-18
Butanethioamide,N,N-dibutyl- Chemical and Physical Properties
Names and Identifiers
-
- Butanethioamide,N,N-dibutyl-
- Butanethioamide, N,N-dibutyl-
- 13217-94-2
- N,N-Dibutylbutanethioamide
-
- Inchi： 1S/C12H25NS/c1-4-7-10-13(11-8-5-2)12(14)9-6-3/h4-11H2,1-3H3
- InChI Key： JPPBLHNPINDJLE-UHFFFAOYSA-N
- SMILES： S=C(CCC)N(CCCC)CCCC
Computed Properties
- Exact Mass: 215.17095
- Monoisotopic Mass: 215.171
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 8
- Complexity: 137
- 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
- Topological Polar Surface Area: 35.3A^2
- XLogP3: 3.7
Experimental Properties
- PSA: 3.24
Butanethioamide,N,N-dibutyl- Related Literature
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Jason Wan Lab Chip, 2020,20, 4528-4538
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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