sodium;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-chloropyrazin-2-amine;3-chloro-4-iodopyridin-2-amine;5-chloro-2H-pyrazin-2-id-3-amine;methane;sulfanide

C19H19Cl4IN10NaS2- — CID 163982434

IUPACsodium;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-chloropyrazin-2-amine;3-chloro-4-iodopyridin-2-amine;5-chloro-2H-pyrazin-2-id-3-amine;methane;sulfanide
SMILESC.Nc1[c-]ncc(Cl)n1.Nc1nc(Cl)cnc1Sc1ccnc(N)c1Cl.Nc1nccc(I)c1Cl.[Na+].[SH-]
InChIInChI=1S/C9H7Cl2N5S.C5H4ClIN2.C4H3ClN3.CH4.Na.H2S/c10-5-3-15-9(8(13)16-5)17-4-1-2-14-7(12)6(4)11;6-4-3(7)1-2-9-5(4)8;5-3-1-7-2-4(6)8-3;;;/h1-3H,(H2,12,14)(H2,13,16);1-2H,(H2,8,9);1H,(H2,6,8);1H4;;1H2/q;;-1;;+1;/p-1
InChIKeyMMWKCCWZSPFXET-UHFFFAOYSA-M
MW743.27 g/mol
LogP2.30
Rot. Bonds2

About sodium;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-chloropyrazin-2-amine;3-chloro-4-iodopyridin-2-amine;5-chloro-2H-pyrazin-2-id-3-amine;methane;sulfanide

sodium;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-chloropyrazin-2-amine;3-chloro-4-iodopyridin-2-amine;5-chloro-2H-pyrazin-2-id-3-amine;methane;sulfanide (PubChem CID 163982434) has the molecular formula C19H19Cl4IN10NaS2- and a molecular weight of 743.27 g/mol. Its IUPAC name is sodium;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-chloropyrazin-2-amine;3-chloro-4-iodopyridin-2-amine;5-chloro-2H-pyrazin-2-id-3-amine;methane;sulfanide.

Molecular Properties

Compound Namesodium;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-chloropyrazin-2-amine;3-chloro-4-iodopyridin-2-amine;5-chloro-2H-pyrazin-2-id-3-amine;methane;sulfanide
PubChem CID163982434
Molecular FormulaC19H19Cl4IN10NaS2-
Molecular Weight743.27 g/mol
Exact Mass740.89
IUPAC Namesodium;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-chloropyrazin-2-amine;3-chloro-4-iodopyridin-2-amine;5-chloro-2H-pyrazin-2-id-3-amine;methane;sulfanide
SMILESC.Nc1[c-]ncc(Cl)n1.Nc1nc(Cl)cnc1Sc1ccnc(N)c1Cl.Nc1nccc(I)c1Cl.[Na+].[SH-]
InChIInChI=1S/C9H7Cl2N5S.C5H4ClIN2.C4H3ClN3.CH4.Na.H2S/c10-5-3-15-9(8(13)16-5)17-4-1-2-14-7(12)6(4)11;6-4-3(7)1-2-9-5(4)8;5-3-1-7-2-4(6)8-3;;;/h1-3H,(H2,12,14)(H2,13,16);1-2H,(H2,8,9);1H,(H2,6,8);1H4;;1H2/q;;-1;;+1;/p-1
InChIKeyMMWKCCWZSPFXET-UHFFFAOYSA-M
XLogP2.30
TPSA181.42 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.27
LogP ≤ 52.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze sodium;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-chloropyrazin-2-amine;3-chloro-4-iodopyridin-2-amine;5-chloro-2H-pyrazin-2-id-3-amine;methane;sulfanide with MolForge

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Related Compounds

6-chloro-3-[[3-chloro-2-(methylamino)-4-pyridinyl]sulfanyl]pyrazin-2-amine
CID 142433969
6-chloro-3-(2,3-dichlorophenyl)sulfanylpyrazin-2-amine
CID 118238335
3-(3-amino-5-chloropyrazin-2-yl)sulfanyl-2-chlorobenzenesulfonamide
CID 166465350
4-[5-(8-azaspiro[4.5]decan-8-yl)-3-iodopyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine
CID 134183046
8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 123693552
7-(3-amino-5-chloropyrazin-2-yl)sulfanyl-8-chloro-2-methylisoquinolin-1-one
CID 171837059
3-chloro-4-[(3-chloro-1,2,4-triazin-6-yl)sulfanyl]pyridin-2-amine
CID 171454817
ethyl 1-[4-(3-amino-5-chloropyrazin-2-yl)sulfanyl-3-chloro-2-pyridinyl]piperidine-4-carboxylate
CID 177224442
1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[3,4-dihydro-2H-naphthalene-1,4'-piperidine]-2-amine
CID 142434017
4-[5-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-3-methylpyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;methane
CID 161203675
3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-(3-cyclopropyl-8-azaspiro[4.5]dec-2-en-8-yl)pyrazin-2-amine
CID 163831275
(4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-1-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 118247899

Frequently Asked Questions

What is the IUPAC name of sodium;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-chloropyrazin-2-amine;3-chloro-4-iodopyridin-2-amine;5-chloro-2H-pyrazin-2-id-3-amine;methane;sulfanide?
The IUPAC name of sodium;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-chloropyrazin-2-amine;3-chloro-4-iodopyridin-2-amine;5-chloro-2H-pyrazin-2-id-3-amine;methane;sulfanide (CID 163982434) is sodium;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-chloropyrazin-2-amine;3-chloro-4-iodopyridin-2-amine;5-chloro-2H-pyrazin-2-id-3-amine;methane;sulfanide.
What is the SMILES notation for sodium;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-chloropyrazin-2-amine;3-chloro-4-iodopyridin-2-amine;5-chloro-2H-pyrazin-2-id-3-amine;methane;sulfanide?
The canonical SMILES for sodium;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-chloropyrazin-2-amine;3-chloro-4-iodopyridin-2-amine;5-chloro-2H-pyrazin-2-id-3-amine;methane;sulfanide is C.Nc1[c-]ncc(Cl)n1.Nc1nc(Cl)cnc1Sc1ccnc(N)c1Cl.Nc1nccc(I)c1Cl.[Na+].[SH-].
What is the InChIKey of sodium;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-chloropyrazin-2-amine;3-chloro-4-iodopyridin-2-amine;5-chloro-2H-pyrazin-2-id-3-amine;methane;sulfanide?
The InChIKey is MMWKCCWZSPFXET-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H7Cl2N5S.C5H4ClIN2.C4H3ClN3.CH4.Na.H2S/c10-5-3-15-9(8(13)16-5)17-4-1-2-14-7(12)6(4)11;6-4-3(7)1-2-9-5(4)8;5-3-1-7-2-4(6)8-3;;;/h1-3H,(H2,12,14)(H2,13,16);1-2H,(H2,8,9);1H,(H2,6,8);1H4;;1H2/q;;-1;;+1;/p-1.
What are the key properties of sodium;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-chloropyrazin-2-amine;3-chloro-4-iodopyridin-2-amine;5-chloro-2H-pyrazin-2-id-3-amine;methane;sulfanide?
sodium;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-chloropyrazin-2-amine;3-chloro-4-iodopyridin-2-amine;5-chloro-2H-pyrazin-2-id-3-amine;methane;sulfanide has a molecular weight of 743.27 g/mol, XLogP of 2.30, 2 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-chloropyrazin-2-amine;3-chloro-4-iodopyridin-2-amine;5-chloro-2H-pyrazin-2-id-3-amine;methane;sulfanide is sourced from PubChem (CID 163982434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).