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3-[(4-aminophenyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

3-[(4-aminophenyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

CAS: 931239-36-0

Formula: C13H15N3O2S

SMILES: CC1=CC(NC(=O)CCSC2=CC=C(N)C=C2)=NO1

IUPAC: 3-[(4-aminophenyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

InChI: InChI=1S/C13H15N3O2S/c1-9-8-12(16-18-9)15-13(17)6-7-19-11-4-2-10(14)3-5-11/h2-5,8H,6-7,14H2,1H3,(H,15,16,17)

Composition: C (56.30%), H (5.45%), N (15.15%), O (11.54%), S (11.56%)

Molar Mass: 277.34

Atom Count: 34

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 277.088497909
Formal Charge 0
FSP3 0.23
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey KROWEHHJBOCNQO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 79.53
Topological Polar Surface Area 81.15
Polarizability 28.59
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 931239-36-0 $202.14$202.14
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