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4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-thiazol-2-amine

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-thiazol-2-amine

CAS: 887031-20-1

Formula: C12H12N2O2S

SMILES: CC1=C(N=C(N)S1)C1=CC2=C(OCCO2)C=C1

IUPAC: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-thiazol-2-amine

InChI: InChI=1S/C12H12N2O2S/c1-7-11(14-12(13)17-7)8-2-3-9-10(6-8)16-5-4-15-9/h2-3,6H,4-5H2,1H3,(H2,13,14)

Composition: C (58.05%), H (4.87%), N (11.28%), O (12.89%), S (12.91%)

Molar Mass: 248.3

Atom Count: 29

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 248.061948808
Formal Charge 0
FSP3 0.25
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey GZUXSYWANTVMEE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.22
Topological Polar Surface Area 57.37
Polarizability 26.25
Ring Count 3
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 887031-20-1 $320.85-$494.11$320.85$494.11
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