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methyl 3-[(3-imino-3-methoxypropyl)disulfanyl]propanimidate dihydrochloride

methyl 3-[(3-imino-3-methoxypropyl)disulfanyl]propanimidate dihydrochloride

CAS: 38285-78-8

Formula: C8H18Cl2N2O2S2

SMILES: Cl.Cl.COC(=N)CCSSCCC(=N)OC

IUPAC: methyl 3-[(3-imino-3-methoxypropyl)disulfanyl]propanimidate dihydrochloride

InChI: InChI=1S/C8H16N2O2S2.2ClH/c1-11-7(9)3-5-13-14-6-4-8(10)12-2;;/h9-10H,3-6H2,1-2H3;2*1H

Composition: C (31.07%), H (5.87%), Cl (22.93%), N (9.06%), O (10.35%), S (20.73%)

Molar Mass: 309.26

Atom Count: 34

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 308.0186756
Formal Charge 0
FSP3 0.75
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey CQBCVFHLZAVNPF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 83.68
Topological Polar Surface Area 66.16
Polarizability 24.49
Ring Count 0
Rotatable Bond Count 9

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Purity LeadTime CAS PacketSize UnitPrice
95% <6 Days 38285-78-8 $74.75-$177.10$74.75$177.10
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Purity LeadTime CAS PacketSize UnitPrice
95% <7 Days 38285-78-8 $37.26-$128.34$37.26$128.34
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