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21018-32-6 | 2-Thiazoline-2-carbamic acid, 5,5-dimethyl-, ethyl ester (8CI)
CAS No: 21018-32-6 Catalog No: AG002KML MDL No:
Product Description
Catalog Number:
AG002KML
Chemical Name:
2-Thiazoline-2-carbamic acid, 5,5-dimethyl-, ethyl ester (8CI)
CAS Number:
21018-32-6
Molecular Formula:
C8H14N2O2S
Molecular Weight:
202.2740
IUPAC Name:
ethyl N-(5,5-dimethyl-4H-1,3-thiazol-2-yl)carbamate
InChI:
InChI=1S/C8H14N2O2S/c1-4-12-7(11)10-6-9-5-8(2,3)13-6/h4-5H2,1-3H3,(H,9,10,11)
InChI Key:
CZEIBSAVAGQHMI-UHFFFAOYSA-N
SMILES:
CCOC(=O)NC1=NCC(S1)(C)C
UNII:
K97WDI6A07
NSC Number:
119879
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.078g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.272g/mol
Monoisotopic Mass:
202.078g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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