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benzyl N-[4-chloro-3-hydroxy-1-(phenylsulfanyl)butan-2-yl]carbamate

benzyl N-[4-chloro-3-hydroxy-1-(phenylsulfanyl)butan-2-yl]carbamate

Formula: C18H20ClNO3S

SMILES: OC(CCl)C(CSC1=CC=CC=C1)NC(=O)OCC1=CC=CC=C1

IUPAC: benzyl N-[4-chloro-3-hydroxy-1-(phenylsulfanyl)butan-2-yl]carbamate

InChI: InChI=1/C18H20ClNO3S/c19-11-17(21)16(13-24-15-9-5-2-6-10-15)20-18(22)23-12-14-7-3-1-4-8-14/h1-10,16-17,21H,11-13H2,(H,20,22)

Composition: C (59.09%), H (5.51%), Cl (9.69%), N (3.83%), O (13.12%), S (8.76%)

Molar Mass: 365.87

Atom Count: 44

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 2
Exact Mass 365.0852424
Formal Charge 0
FSP3 0.28
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey YMCLVAZUQJPLTE-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 97.63
Topological Polar Surface Area 58.56
Polarizability 38.36
Ring Count 2
Rotatable Bond Count 9

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Molecule Market Select
Purity LeadTime Formula UnitPrice
98% <10 Days C18H20ClNO3S Quote Only