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[(2-amino-4-tert-butyl-1,3-thiazol-5-yl)sulfanyl]formonitrile

[(2-amino-4-tert-butyl-1,3-thiazol-5-yl)sulfanyl]formonitrile

CAS: 339016-14-7

Formula: C8H11N3S2

SMILES: CC(C)(C)C1=C(SC#N)SC(N)=N1

IUPAC: [(2-amino-4-tert-butyl-1,3-thiazol-5-yl)sulfanyl]formonitrile

InChI: InChI=1S/C8H11N3S2/c1-8(2,3)5-6(12-4-9)13-7(10)11-5/h1-3H3,(H2,10,11)

Composition: C (45.04%), H (5.20%), N (19.70%), S (30.06%)

Molar Mass: 213.32

Atom Count: 24

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 213.039439714
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey QZFYJPFYRDFWFI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 56.76
Topological Polar Surface Area 62.7
Polarizability 21.32
Ring Count 1
Rotatable Bond Count 2

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Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 339016-14-7 $51.35-$524.40$51.35$63.37$86.31$524.40
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