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({4-[(cyanosulfanyl)methyl]phenyl}methyl)sulfanylcarbonitrile

({4-[(cyanosulfanyl)methyl]phenyl}methyl)sulfanylcarbonitrile

CAS: 1014-99-9

Formula: C10H8N2S2

SMILES: N#CSCC1=CC=C(CSC#N)C=C1

IUPAC: [({4-[(cyanosulfanyl)methyl]phenyl}methyl)sulfanyl]carbonitrile

InChI: InChI=1S/C10H8N2S2/c11-7-13-5-9-1-2-10(4-3-9)6-14-8-12/h1-4H,5-6H2

Composition: C (54.52%), H (3.66%), N (12.72%), S (29.10%)

Molar Mass: 220.31

Atom Count: 22

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 220.012890614
Formal Charge 0
FSP3 0.2
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey ZMFLUYPLYCZQDR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.26
Topological Polar Surface Area 47.58
Polarizability 23.58
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS UnitPrice
98% <14 Days 1014-99-9 Quote Only