sodium;2-cyanoguanidine;formaldehyde;naphthalene-2-sulfonate

C13H13N4NaO4S — CID 23674220

IUPACsodium;2-cyanoguanidine;formaldehyde;naphthalene-2-sulfonate
SMILESC=O.N#CN=C(N)N.O=S(=O)([O-])c1ccc2ccccc2c1.[Na+]
InChIInChI=1S/C10H8O3S.C2H4N4.CH2O.Na/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;3-1-6-2(4)5;1-2;/h1-7H,(H,11,12,13);(H4,4,5,6);1H2;/q;;;+1/p-1
InChIKeyZCIZVDMIXCLCKD-UHFFFAOYSA-M
MW344.33 g/mol
LogP-2.70
Rot. Bonds1

About sodium;2-cyanoguanidine;formaldehyde;naphthalene-2-sulfonate

sodium;2-cyanoguanidine;formaldehyde;naphthalene-2-sulfonate (PubChem CID 23674220) has the molecular formula C13H13N4NaO4S and a molecular weight of 344.33 g/mol. Its IUPAC name is sodium;2-cyanoguanidine;formaldehyde;naphthalene-2-sulfonate.

Molecular Properties

Compound Namesodium;2-cyanoguanidine;formaldehyde;naphthalene-2-sulfonate
PubChem CID23674220
Molecular FormulaC13H13N4NaO4S
Molecular Weight344.33 g/mol
Exact Mass344.06
IUPAC Namesodium;2-cyanoguanidine;formaldehyde;naphthalene-2-sulfonate
SMILESC=O.N#CN=C(N)N.O=S(=O)([O-])c1ccc2ccccc2c1.[Na+]
InChIInChI=1S/C10H8O3S.C2H4N4.CH2O.Na/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;3-1-6-2(4)5;1-2;/h1-7H,(H,11,12,13);(H4,4,5,6);1H2;/q;;;+1/p-1
InChIKeyZCIZVDMIXCLCKD-UHFFFAOYSA-M
XLogP-2.70
TPSA162.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 5-2.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

bis(diaminomethylideneazanium);naphthalene-2,6-disulfonate
CID 142698795
anthracene-2,6-disulfonate;bis(diaminomethylideneazanium);pyrene
CID 139120228
Dispersing Agent NNO
CID 156594502
CID 87246277
CID 87246277
hexakis(ethane-1,2-diamine);bis(naphthalene-2,6-disulfonate);bis(nickel(2+));dihydrate
CID 139066976
naphthalene-2-sulfonic acid
CID 8420
bis(diaminomethylideneazanium);bis(1-methylnaphthalene);naphthalene-2,6-disulfonate
CID 139120224
sodium 7-hydroxynaphthalene-2-sulfonate
CID 23667647
methanesulfonic acid;naphthalene-2-sulfonic acid
CID 87841078
2-naphthalen-2-ylsulfonylpropanedinitrile
CID 20715344
naphthalene-2-sulfonic acid;zinc
CID 87263273
CID 88530425
CID 88530425

Frequently Asked Questions

What is the IUPAC name of sodium;2-cyanoguanidine;formaldehyde;naphthalene-2-sulfonate?
The IUPAC name of sodium;2-cyanoguanidine;formaldehyde;naphthalene-2-sulfonate (CID 23674220) is sodium;2-cyanoguanidine;formaldehyde;naphthalene-2-sulfonate.
What is the SMILES notation for sodium;2-cyanoguanidine;formaldehyde;naphthalene-2-sulfonate?
The canonical SMILES for sodium;2-cyanoguanidine;formaldehyde;naphthalene-2-sulfonate is C=O.N#CN=C(N)N.O=S(=O)([O-])c1ccc2ccccc2c1.[Na+].
What is the InChIKey of sodium;2-cyanoguanidine;formaldehyde;naphthalene-2-sulfonate?
The InChIKey is ZCIZVDMIXCLCKD-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H8O3S.C2H4N4.CH2O.Na/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;3-1-6-2(4)5;1-2;/h1-7H,(H,11,12,13);(H4,4,5,6);1H2;/q;;;+1/p-1.
What are the key properties of sodium;2-cyanoguanidine;formaldehyde;naphthalene-2-sulfonate?
sodium;2-cyanoguanidine;formaldehyde;naphthalene-2-sulfonate has a molecular weight of 344.33 g/mol, XLogP of -2.70, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-cyanoguanidine;formaldehyde;naphthalene-2-sulfonate is sourced from PubChem (CID 23674220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).