anthracene-2,6-disulfonic acid;bis(guanidine)

C16H20N6O6S2 — CID 175713431

IUPACanthracene-2,6-disulfonic acid;bis(guanidine)
SMILESO=S(=O)(O)c1ccc2cc3cc(S(=O)(=O)O)ccc3cc2c1.[H]N=C(N)N.[H]N=C(N)N
InChIInChI=1S/C14H10O6S2.2CH5N3/c15-21(16,17)13-3-1-9-5-12-8-14(22(18,19)20)4-2-10(12)6-11(9)7-13;2*2-1(3)4/h1-8H,(H,15,16,17)(H,18,19,20);2*(H5,2,3,4)
InChIKeyGGWQSIPFATWEGQ-UHFFFAOYSA-N
MW456.51 g/mol
LogP0.16
Rot. Bonds2

About anthracene-2,6-disulfonic acid;bis(guanidine)

anthracene-2,6-disulfonic acid;bis(guanidine) (PubChem CID 175713431) has the molecular formula C16H20N6O6S2 and a molecular weight of 456.51 g/mol. Its IUPAC name is anthracene-2,6-disulfonic acid;bis(guanidine).

Molecular Properties

Compound Nameanthracene-2,6-disulfonic acid;bis(guanidine)
PubChem CID175713431
Molecular FormulaC16H20N6O6S2
Molecular Weight456.51 g/mol
Exact Mass456.09
IUPAC Nameanthracene-2,6-disulfonic acid;bis(guanidine)
SMILESO=S(=O)(O)c1ccc2cc3cc(S(=O)(=O)O)ccc3cc2c1.[H]N=C(N)N.[H]N=C(N)N
InChIInChI=1S/C14H10O6S2.2CH5N3/c15-21(16,17)13-3-1-9-5-12-8-14(22(18,19)20)4-2-10(12)6-11(9)7-13;2*2-1(3)4/h1-8H,(H,15,16,17)(H,18,19,20);2*(H5,2,3,4)
InChIKeyGGWQSIPFATWEGQ-UHFFFAOYSA-N
XLogP0.16
TPSA260.52 Ų
H-Bond Donors8
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.51
LogP ≤ 50.16
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

tetracene-2-sulfonic acid
CID 21483873
6,7-dihydroxyanthracene-2-sulfonic acid
CID 141399641
sodium;anthracene-2-sulfonic acid;hydride
CID 173016087
naphthalene-2,3,6-trisulfonic acid
CID 42609669
naphthalene-2-sulfonic acid
CID 8420
CID 87753732
CID 87753732
naphthalene-2-sulfonic acid;zinc
CID 87263273
CID 87246277
CID 87246277
CID 88530425
CID 88530425
5-aminoanthracene-2-sulfonic acid
CID 154193795
6-hydroxynaphthalene-2-sulfonic acid;nickel
CID 175470147
6-sulfanylnaphthalene-2-sulfonic acid
CID 57069240

Frequently Asked Questions

What is the IUPAC name of anthracene-2,6-disulfonic acid;bis(guanidine)?
The IUPAC name of anthracene-2,6-disulfonic acid;bis(guanidine) (CID 175713431) is anthracene-2,6-disulfonic acid;bis(guanidine).
What is the SMILES notation for anthracene-2,6-disulfonic acid;bis(guanidine)?
The canonical SMILES for anthracene-2,6-disulfonic acid;bis(guanidine) is O=S(=O)(O)c1ccc2cc3cc(S(=O)(=O)O)ccc3cc2c1.[H]N=C(N)N.[H]N=C(N)N.
What is the InChIKey of anthracene-2,6-disulfonic acid;bis(guanidine)?
The InChIKey is GGWQSIPFATWEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O6S2.2CH5N3/c15-21(16,17)13-3-1-9-5-12-8-14(22(18,19)20)4-2-10(12)6-11(9)7-13;2*2-1(3)4/h1-8H,(H,15,16,17)(H,18,19,20);2*(H5,2,3,4).
What are the key properties of anthracene-2,6-disulfonic acid;bis(guanidine)?
anthracene-2,6-disulfonic acid;bis(guanidine) has a molecular weight of 456.51 g/mol, XLogP of 0.16, 2 rotatable bonds, 8 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene-2,6-disulfonic acid;bis(guanidine) is sourced from PubChem (CID 175713431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).