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4-{2-[(2-hydroxyethyl)sulfanyl]diazen-1-yl}benzoic acid

4-{2-[(2-hydroxyethyl)sulfanyl]diazen-1-yl}benzoic acid

CAS: 331837-01-5

Formula: C9H10N2O3S

SMILES: OCCSN=NC1=CC=C(C=C1)C(O)=O

IUPAC: 4-{2-[(2-hydroxyethyl)sulfanyl]diazen-1-yl}benzoic acid

InChI: InChI=1S/C9H10N2O3S/c12-5-6-15-11-10-8-3-1-7(2-4-8)9(13)14/h1-4,12H,5-6H2,(H,13,14)

Composition: C (47.78%), H (4.46%), N (12.38%), O (21.21%), S (14.17%)

Molar Mass: 226.25

Atom Count: 25

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 226.041213364
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey XQYXSDKECFGYPC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.11
Topological Polar Surface Area 82.25
Polarizability 21.81
Ring Count 1
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 331837-01-5 $171.12$171.12
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