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2-[(prop-2-yn-1-ylsulfanyl)methyl]-1H-1,3-benzodiazole

2-[(prop-2-yn-1-ylsulfanyl)methyl]-1H-1,3-benzodiazole

Formula: C11H10N2S

SMILES: C#CCSCC1=NC2=CC=CC=C2N1

IUPAC: 2-[(prop-2-yn-1-ylsulfanyl)methyl]-1H-1,3-benzodiazole

InChI: InChI=1S/C11H10N2S/c1-2-7-14-8-11-12-9-5-3-4-6-10(9)13-11/h1,3-6H,7-8H2,(H,12,13)

Composition: C (65.32%), H (4.98%), N (13.85%), S (15.85%)

Molar Mass: 202.28

Atom Count: 24

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 202.056469504
Formal Charge 0
FSP3 0.18
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey KMQVUBYXAKTOSE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.52
Topological Polar Surface Area 28.68
Polarizability 24.02
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C11H10N2S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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