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3-methyl-5H,6H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid hydrate

3-methyl-5H,6H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid hydrate

CAS: 1609400-95-4

Formula: C7H10N2O3S

SMILES: O.CC1=C(SC2=NCCN12)C(O)=O

IUPAC: 3-methyl-5H,6H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid hydrate

InChI: InChI=1S/C7H8N2O2S.H2O/c1-4-5(6(10)11)12-7-8-2-3-9(4)7;/h2-3H2,1H3,(H,10,11);1H2

Composition: C (41.58%), H (4.98%), N (13.85%), O (23.73%), S (15.85%)

Molar Mass: 202.23

Atom Count: 23

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 202.041213364
Formal Charge 0
FSP3 0.43
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey MVXLHXRZDTXKAA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.24
Topological Polar Surface Area 52.9
Polarizability 17.47
Ring Count 2
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
95% <4 Days 1609400-95-4 $58.65-$1,518.00$58.65$232.30$1,518.00
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