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tert-butyl N-[5-(methylsulfanyl)-1H-1,2,4-triazol-3-yl]carbamate

tert-butyl N-[5-(methylsulfanyl)-1H-1,2,4-triazol-3-yl]carbamate

Formula: C8H14N4O2S

SMILES: CSC1=NC(NC(=O)OC(C)(C)C)=NN1

IUPAC: tert-butyl N-[5-(methylsulfanyl)-1H-1,2,4-triazol-3-yl]carbamate

InChI: InChI=1S/C8H14N4O2S/c1-8(2,3)14-7(13)10-5-9-6(15-4)12-11-5/h1-4H3,(H2,9,10,11,12,13)

Composition: C (41.73%), H (6.13%), N (24.33%), O (13.89%), S (13.92%)

Molar Mass: 230.29

Atom Count: 29

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 230.083746881
Formal Charge 0
FSP3 0.62
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey OMYKPCXFRJLUKL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.39
Topological Polar Surface Area 79.9
Polarizability 22.35
Ring Count 1
Rotatable Bond Count 4

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Kinentia Biosciences LLC
Purity LeadTime Formula PacketSize UnitPrice
97% <14 Days C8H14N4O2S $215.46-$323.19$215.46$323.19
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