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2-sulfanylidene-1,3-diazinane-4-carbonitrile

2-sulfanylidene-1,3-diazinane-4-carbonitrile

Formula: C5H7N3S

SMILES: S=C1NCCC(N1)C#N

IUPAC: 2-sulfanylidene-1,3-diazinane-4-carbonitrile

InChI: InChI=1/C5H7N3S/c6-3-4-1-2-7-5(9)8-4/h4H,1-2H2,(H2,7,8,9)

Composition: C (42.53%), H (5.00%), N (29.76%), S (22.71%)

Molar Mass: 141.19

Atom Count: 16

Heavy Atom Count: 9

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 141.036068411
Formal Charge 0
FSP3 0.6
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 2
InChIKey AEZMRONQBZEENT-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 38.63
Topological Polar Surface Area 47.85
Polarizability 14.77
Ring Count 1
Rotatable Bond Count 0

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C5H7N3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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