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Merck
CN

14563

Sigma-Aldrich

N,N′-Di-Boc-S-methylisothiourea

purum, ≥98.0% (HPLC)

Synonym(s):

1,3-Di-Boc-2-methylisothiourea, N,N′-Bis(tert-butoxycarbonyl)-S-methylisothiourea

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About This Item

Linear Formula:
(CH3)3CO2CN=C(SCH3)NHCO2C(CH3)3
CAS Number:
107819-90-9
Molecular Weight:
290.38
Beilstein:
5815984
MDL number:
MFCD00239356
UNSPSC Code:
12352200
PubChem Substance ID:
24848738

Key Documents

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grade

purum

Assay

≥98.0% (HPLC)

mp

115-121 °C (lit.)
115-121 °C

SMILES string

CS\C(NC(=O)OC(C)(C)C)=N/C(=O)OC(C)(C)C

InChI

1S/C12H22N2O4S/c1-11(2,3)17-9(15)13-8(19-7)14-10(16)18-12(4,5)6/h1-7H3,(H,13,14,15,16)

InChI key

UQJXXWHAJKRDKY-UHFFFAOYSA-N

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Other Notes

Reagent for the guanylation of amines

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Potent and selective thrombin inhibitors incorporating the constrained arginine mimic l-3-piperidyl(N-guanidino)alanine at P1.
O E Levy et al.
Journal of medicinal chemistry, 39(23), 4527-4530 (1996-11-08)
A.S. Verdini et al.
Tetrahedron Letters, 33, 6541-6541 (1992)

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