[2-(carbamimidoylsulfanylmethyl)-4,5-dichlorophenyl]methyl carbamimidothioate;6-[[4,5-dichloro-2-[[3-[2-(3,4-dichlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-[2-(3,4-dichlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazine;2-(3,4-dichlorophenyl)ethanamine;dihydrobromide

C48H53Br2Cl10N11S4 — CID 157216664

About [2-(carbamimidoylsulfanylmethyl)-4,5-dichlorophenyl]methyl carbamimidothioate;6-[[4,5-dichloro-2-[[3-[2-(3,4-dichlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-[2-(3,4-dichlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazine;2-(3,4-dichlorophenyl)ethanamine;dihydrobromide

[2-(carbamimidoylsulfanylmethyl)-4,5-dichlorophenyl]methyl carbamimidothioate;6-[[4,5-dichloro-2-[[3-[2-(3,4-dichlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-[2-(3,4-dichlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazine;2-(3,4-dichlorophenyl)ethanamine;dihydrobromide (PubChem CID 157216664) has the molecular formula C48H53Br2Cl10N11S4 and a molecular weight of 1426.63 g/mol. Its IUPAC name is [2-(carbamimidoylsulfanylmethyl)-4,5-dichlorophenyl]methyl carbamimidothioate;6-[[4,5-dichloro-2-[[3-[2-(3,4-dichlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-[2-(3,4-dichlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazine;2-(3,4-dichlorophenyl)ethanamine;dihydrobromide.

Molecular Properties

• Compound Name: [2-(carbamimidoylsulfanylmethyl)-4,5-dichlorophenyl]methyl carbamimidothioate;6-[[4,5-dichloro-2-[[3-[2-(3,4-dichlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-[2-(3,4-dichlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazine;2-(3,4-dichlorophenyl)ethanamine;dihydrobromide
• PubChem CID: 157216664
• Molecular Formula: C48H53Br2Cl10N11S4
• Molecular Weight: 1426.63 g/mol
• Exact Mass: 1418.86
• IUPAC Name: [2-(carbamimidoylsulfanylmethyl)-4,5-dichlorophenyl]methyl carbamimidothioate;6-[[4,5-dichloro-2-[[3-[2-(3,4-dichlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-[2-(3,4-dichlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazine;2-(3,4-dichlorophenyl)ethanamine;dihydrobromide
• SMILES: Br.Br.Clc1ccc(CCN2CN=C(SCc3cc(Cl)c(Cl)cc3CSC3=NCN(CCc4ccc(Cl)c(Cl)c4)CN3)NC2)cc1Cl.NCCc1ccc(Cl)c(Cl)c1.[H]/N=C(\N)SCc1cc(Cl)c(Cl)cc1CS/C(N)=N/[H]
• InChI: InChI=1S/C30H30Cl6N6S2.C10H12Cl2N4S2.C8H9Cl2N.2BrH/c31-23-3-1-19(9-25(23)33)5-7-41-15-37-29(38-16-41)43-13-21-11-27(35)28(36)12-22(21)14-44-30-39-17-42(18-40-30)8-6-20-2-4-24(32)26(34)10-20;11-7-1-5(3-17-9(13)14)6(2-8(7)12)4-18-10(15)16;9-7-2-1-6(3-4-11)5-8(7)10;;/h1-4,9-12H,5-8,13-18H2,(H,37,38)(H,39,40);1-2H,3-4H2,(H3,13,14)(H3,15,16);1-2,5H,3-4,11H2;2*1H
• InChIKey: RBUPOEUJLGBKDG-UHFFFAOYSA-N
• XLogP: 15.81
• TPSA: 181.02 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 13
• Rotatable Bonds: 16
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1426.63
LogP ≤ 5	15.81
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-(carbamimidoylsulfanylmethyl)-4,5-dichlorophenyl]methyl carbamimidothioate;6-[[4,5-dichloro-2-[[3-[2-(3,4-dichlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-[2-(3,4-dichlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazine;2-(3,4-dichlorophenyl)ethanamine;dihydrobromide?

The IUPAC name of [2-(carbamimidoylsulfanylmethyl)-4,5-dichlorophenyl]methyl carbamimidothioate;6-[[4,5-dichloro-2-[[3-[2-(3,4-dichlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-[2-(3,4-dichlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazine;2-(3,4-dichlorophenyl)ethanamine;dihydrobromide (CID 157216664) is [2-(carbamimidoylsulfanylmethyl)-4,5-dichlorophenyl]methyl carbamimidothioate;6-[[4,5-dichloro-2-[[3-[2-(3,4-dichlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-[2-(3,4-dichlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazine;2-(3,4-dichlorophenyl)ethanamine;dihydrobromide.

What is the SMILES notation for [2-(carbamimidoylsulfanylmethyl)-4,5-dichlorophenyl]methyl carbamimidothioate;6-[[4,5-dichloro-2-[[3-[2-(3,4-dichlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-[2-(3,4-dichlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazine;2-(3,4-dichlorophenyl)ethanamine;dihydrobromide?

The canonical SMILES for [2-(carbamimidoylsulfanylmethyl)-4,5-dichlorophenyl]methyl carbamimidothioate;6-[[4,5-dichloro-2-[[3-[2-(3,4-dichlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-[2-(3,4-dichlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazine;2-(3,4-dichlorophenyl)ethanamine;dihydrobromide is Br.Br.Clc1ccc(CCN2CN=C(SCc3cc(Cl)c(Cl)cc3CSC3=NCN(CCc4ccc(Cl)c(Cl)c4)CN3)NC2)cc1Cl.NCCc1ccc(Cl)c(Cl)c1.[H]/N=C(\N)SCc1cc(Cl)c(Cl)cc1CS/C(N)=N/[H].

What is the InChIKey of [2-(carbamimidoylsulfanylmethyl)-4,5-dichlorophenyl]methyl carbamimidothioate;6-[[4,5-dichloro-2-[[3-[2-(3,4-dichlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-[2-(3,4-dichlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazine;2-(3,4-dichlorophenyl)ethanamine;dihydrobromide?

The InChIKey is RBUPOEUJLGBKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30Cl6N6S2.C10H12Cl2N4S2.C8H9Cl2N.2BrH/c31-23-3-1-19(9-25(23)33)5-7-41-15-37-29(38-16-41)43-13-21-11-27(35)28(36)12-22(21)14-44-30-39-17-42(18-40-30)8-6-20-2-4-24(32)26(34)10-20;11-7-1-5(3-17-9(13)14)6(2-8(7)12)4-18-10(15)16;9-7-2-1-6(3-4-11)5-8(7)10;;/h1-4,9-12H,5-8,13-18H2,(H,37,38)(H,39,40);1-2H,3-4H2,(H3,13,14)(H3,15,16);1-2,5H,3-4,11H2;2*1H.

What are the key properties of [2-(carbamimidoylsulfanylmethyl)-4,5-dichlorophenyl]methyl carbamimidothioate;6-[[4,5-dichloro-2-[[3-[2-(3,4-dichlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-[2-(3,4-dichlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazine;2-(3,4-dichlorophenyl)ethanamine;dihydrobromide?

[2-(carbamimidoylsulfanylmethyl)-4,5-dichlorophenyl]methyl carbamimidothioate;6-[[4,5-dichloro-2-[[3-[2-(3,4-dichlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-[2-(3,4-dichlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazine;2-(3,4-dichlorophenyl)ethanamine;dihydrobromide has a molecular weight of 1426.63 g/mol, XLogP of 15.81, 16 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(carbamimidoylsulfanylmethyl)-4,5-dichlorophenyl]methyl carbamimidothioate;6-[[4,5-dichloro-2-[[3-[2-(3,4-dichlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-[2-(3,4-dichlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazine;2-(3,4-dichlorophenyl)ethanamine;dihydrobromide is sourced from PubChem (CID 157216664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).