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306935-44-4 | Carbamic acid, [(4-cyclopropyl-4,5-dihydro-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-, 1,1-dimethylethyl ester (9CI)
CAS No: 306935-44-4 Catalog No: AG0030VQ MDL No:MFCD01764058
Product Description
Catalog Number:
AG0030VQ
Chemical Name:
Carbamic acid, [(4-cyclopropyl-4,5-dihydro-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-, 1,1-dimethylethyl ester (9CI)
CAS Number:
306935-44-4
Molecular Formula:
C11H18N4O2S
Molecular Weight:
270.3512
MDL Number:
MFCD01764058
IUPAC Name:
tert-butyl N-[(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]carbamate
InChI:
InChI=1S/C11H18N4O2S/c1-11(2,3)17-10(16)12-6-8-13-14-9(18)15(8)7-4-5-7/h7H,4-6H2,1-3H3,(H,12,16)(H,14,18)
InChI Key:
RKEBRKREEAVQSW-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCc1n[nH]c(=S)n1C1CC1
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.115g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
270.351g/mol
Monoisotopic Mass:
270.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
98A^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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