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N,N-diethyl{[3-(2,5-dioxopyrrolidin-1-yl)-2-methanesulfonylpropyl]sulfanyl}carbothioamide

N,N-diethyl{[3-(2,5-dioxopyrrolidin-1-yl)-2-methanesulfonylpropyl]sulfanyl}carbothioamide

CAS: 155170-60-8

Formula: C13H22N2O4S3

SMILES: CCN(CC)C(=S)SCC(CN1C(=O)CCC1=O)S(C)(=O)=O

IUPAC: N,N-diethyl{[3-(2,5-dioxopyrrolidin-1-yl)-2-methanesulfonylpropyl]sulfanyl}carbothioamide

InChI: InChI=1/C13H22N2O4S3/c1-4-14(5-2)13(20)21-9-10(22(3,18)19)8-15-11(16)6-7-12(15)17/h10H,4-9H2,1-3H3

Composition: C (42.60%), H (6.05%), N (7.64%), O (17.46%), S (26.24%)

Molar Mass: 366.51

Atom Count: 44

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 366.074170718
Formal Charge 0
FSP3 0.77
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey RXQABUPEJADGNB-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 92.94
Topological Polar Surface Area 74.76
Polarizability 37.14
Ring Count 1
Rotatable Bond Count 8

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 155170-60-8 $51.35-$86.31$51.35$63.37$86.31
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