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methyl 4-tert-butyl-1,2,3-thiadiazole-5-carboxylate

methyl 4-tert-butyl-1,2,3-thiadiazole-5-carboxylate

Formula: C8H12N2O2S

SMILES: COC(=O)C1=C(N=NS1)C(C)(C)C

IUPAC: methyl 4-tert-butyl-1,2,3-thiadiazole-5-carboxylate

InChI: InChI=1S/C8H12N2O2S/c1-8(2,3)6-5(7(11)12-4)13-10-9-6/h1-4H3

Composition: C (47.98%), H (6.04%), N (13.99%), O (15.98%), S (16.01%)

Molar Mass: 200.26

Atom Count: 25

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 200.061948808
Formal Charge 0
FSP3 0.62
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey DKSNCNXQGZOFIU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.46
Topological Polar Surface Area 52.08
Polarizability 19.08
Ring Count 1
Rotatable Bond Count 3

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Struchem co.,ltd
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Purity LeadTime Formula PacketSize UnitPrice
95% <5 Days C8H12N2O2S $1,540.00-$2,860.00$1,540.00$1,760.00$2,860.00
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