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3-(butylsulfanyl)propanoic acid

3-(butylsulfanyl)propanoic acid

CAS: 22002-73-9

Formula: C7H14O2S

SMILES: CCCCSCCC(O)=O

IUPAC: 3-(butylsulfanyl)propanoic acid

InChI: InChI=1S/C7H14O2S/c1-2-3-5-10-6-4-7(8)9/h2-6H2,1H3,(H,8,9)

Composition: C (51.82%), H (8.70%), O (19.72%), S (19.76%)

Molar Mass: 162.25

Atom Count: 24

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 162.071450865
Formal Charge 0
FSP3 0.86
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey TUUHTXRXGNYVMY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 43.65
Topological Polar Surface Area 37.3
Polarizability 17.21
Ring Count 0
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 22002-73-9 $202.14$202.14
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