Text Search
Structure Search

2-[(3,5-dimethylpyridin-2-yl)methanesulfinyl]-5-methoxy-1H-1,3-benzodiazole

2-[(3,5-dimethylpyridin-2-yl)methanesulfinyl]-5-methoxy-1H-1,3-benzodiazole

CAS: 110374-16-8

Formula: C16H17N3O2S

SMILES: COC1=CC=C2NC(=NC2=C1)S(=O)CC1=NC=C(C)C=C1C

IUPAC: 2-[(3,5-dimethylpyridin-2-yl)methanesulfinyl]-5-methoxy-1H-1,3-benzodiazole

InChI: InChI=1/C16H17N3O2S/c1-10-6-11(2)15(17-8-10)9-22(20)16-18-13-5-4-12(21-3)7-14(13)19-16/h4-8H,9H2,1-3H3,(H,18,19)

Composition: C (60.93%), H (5.43%), N (13.32%), O (10.15%), S (10.17%)

Molar Mass: 315.39

Atom Count: 39

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 315.104147973
Formal Charge 0
FSP3 0.25
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey ZMXZYNHJPJEPAE-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 87.2
Topological Polar Surface Area 67.87
Polarizability 34.83
Ring Count 3
Rotatable Bond Count 4

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
Molecule Market Select
Purity LeadTime CAS PacketSize UnitPrice
98% <7 Days 110374-16-8 $293.94$293.94
Request Quote
AA BLOCKS INC
Supplier Profile
Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 110374-16-8 $121.90-$749.80$121.90$572.70$749.80
Request Quote
CLEARSYNTH LABS
Supplier Profile
Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 110374-16-8 $130.56-$1,033.26$130.56$243.78$579.36$1,033.26
Request Quote