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Thiazole, 2,5-dihydro-2,2-dimethyl-5-pentyl-
CAS:
86835-45-2
MW:
185.33
MF:
C10H19NS
 
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Names and ldentifier
Computational chemical data
Realated Product Infomation
1. Names and Identifiers
1.1 Name
Thiazole, 2,5-dihydro-2,2-dimethyl-5-pentyl-
1.2 Synonyms
2,2-Dimethyl-5-pentyl-3-thiazoline; 2,2-DIMETHYL-5-PENTYL-5H-1,3-THIAZOLE; ACMC-20l9k3; CTK3C6399; Thiazole,2,5-dihydro-2,2-dimethyl-5-pentyl; Thiazole,2,5-dihydro-2,2-dimethyl-5-pentyl-,(R);
1.3 CAS No.
86835-45-2
1.4 CID
13067815
1.5 Molecular Formula
C10H19NS
1.6 Inchi
InChI=1S/C10H19NS/c1-4-5-6-7-9-8-11-10(2,3)12-9/h8-9H,4-7H2,1-3H3
1.7 InChkey
MCUWHFORSHLUTB-UHFFFAOYSA-N
1.8 Canonical Smiles
CCCCCC1C=NC(S1)(C)C
1.9 Isomers Smiles
CCCCCC1C=NC(S1)(C)C
2. Synthesis Route
86835-45-2
Total: 1 Synthesis Route
16486-84-3
1 Suppliers
67-64-1
86835-45-2
3. Precursor and Product
precursor:
16486-84-3
product:
89036-25-9
89036-24-8
89036-29-3
89036-26-0
89036-30-6
89036-23-7
89036-27-1
4. Computed Properties
Molecular Weight:
185.33g/mol
Molecular Formula:
C
10
H
19
NS
Compound Is Canonicalized:
True
Exact Mass:
3.1
XLogP3-AA:
185.12382078
Monoisotopic Mass:
185.12382078
Complexity:
163
Rotatable Bond Count:
4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Topological Polar Surface Area:
37.7
Heavy Atom Count::
12
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Isotope Atom Count:
0
Covalently-Bonded Unit Count:
1
CACTVS Substructure Key Fingerprint:
AAADceByAABAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAHAQAAAAACAjFQASCAAIAAAggABAhBAAAAABAABAAAAAwAAAAAAIgAAAAAAAAAAAgAAEAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
5. Realated Product Infomation
Thiazole, 4-pentyl-
cas:721949-04-8
2,5-dimethyl-4,5-dihydro-1,3-thiazole
cas:4146-19-4
Pyrazine, 2,3-dihydro-2,6-dimethyl-5-pentyl- (9CI)
cas:539826-70-5
Pyrazine, 2,3-dihydro-2,5-dimethyl-6-pentyl- (9CI)
cas:539826-71-6
(4,4-DIMETHYL-4,5-DIHYDRO-THIAZOL-2-YL)-(2,5-DIMETHYL-PHENYL)-AMINE
cas:380437-02-5
Thiazole, 2,5-dihydro-4,5-dimethyl-2-(1-methylethyl)-, cis- (9CI)
cas:115152-69-7
1. Names and Identifiers
1.1 Name
1.2 Synonyms
1.3 CAS No.
1.4 Molecular Formula
1.5 Inchi
1.6 InChkey
1.7 Canonical Smiles
1.8 Isomers Smiles
2.
Synthesis Route
3.
Precursor and Product
4.
Computational chemical data
5.
Realated Product Infomation
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