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(3aS,4S,6aR)-4-(5-hydroxypentyl)-hexahydrothieno[3,4-d]imidazol-2-one

(3aS,4S,6aR)-4-(5-hydroxypentyl)-hexahydrothieno[3,4-d]imidazol-2-one

CAS: 53906-36-8

Formula: C10H18N2O2S

SMILES: [H][C@]12CS[C@@H](CCCCCO)[C@@]1([H])NC(=O)N2

IUPAC: (3aS,4S,6aR)-4-(5-hydroxypentyl)-hexahydro-1H-thieno[3,4-d]imidazol-2-one

InChI: InChI=1S/C10H18N2O2S/c13-5-3-1-2-4-8-9-7(6-15-8)11-10(14)12-9/h7-9,13H,1-6H2,(H2,11,12,14)/t7-,8+,9-/m1/s1

Composition: C (52.15%), H (7.88%), N (12.16%), O (13.89%), S (13.92%)

Molar Mass: 230.33

Atom Count: 33

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 3
Exact Mass 230.108899002
Formal Charge 0
FSP3 0.9
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 3
InChIKey RGIKRHKHRAAZIO-CIUDSAMLSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.31
Topological Polar Surface Area 61.36
Polarizability 23.75
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 53906-36-8 $52.36-$806.91$52.36$87.89$233.75$806.91
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