perchloric acid;2,5,7-trimethyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium

C9H12ClN2O4S+ — CID 126959837

IUPACperchloric acid;2,5,7-trimethyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium
SMILESCc1cc(C)[n+]2cc(C)sc2n1.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C9H11N2S.ClHO4/c1-6-4-7(2)11-5-8(3)12-9(11)10-6;2-1(3,4)5/h4-5H,1-3H3;(H,2,3,4,5)/q+1;
InChIKeyUPSLEVUZDCDPPR-UHFFFAOYSA-N
MW279.73 g/mol
LogP-2.32
Rot. Bonds

About perchloric acid;2,5,7-trimethyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium

perchloric acid;2,5,7-trimethyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium (PubChem CID 126959837) has the molecular formula C9H12ClN2O4S+ and a molecular weight of 279.73 g/mol. Its IUPAC name is perchloric acid;2,5,7-trimethyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium.

Molecular Properties

Compound Nameperchloric acid;2,5,7-trimethyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium
PubChem CID126959837
Molecular FormulaC9H12ClN2O4S+
Molecular Weight279.73 g/mol
Exact Mass279.02
IUPAC Nameperchloric acid;2,5,7-trimethyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium
SMILESCc1cc(C)[n+]2cc(C)sc2n1.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C9H11N2S.ClHO4/c1-6-4-7(2)11-5-8(3)12-9(11)10-6;2-1(3,4)5/h4-5H,1-3H3;(H,2,3,4,5)/q+1;
InChIKeyUPSLEVUZDCDPPR-UHFFFAOYSA-N
XLogP-2.32
TPSA106.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 5-2.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

CID 173082866
CID 173082866
5,7-dimethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-2-thiolate
CID 786277
7-iodo-2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium
CID 2303351
2,4,7-trimethylpyrido[1,2-a]pyrimidin-5-ium-9-ol chloride
CID 10105065
1,2,4,6-tetramethylpyrimidin-1-ium
CID 3774525
5,7-dimethyl-3-(4-methylphenyl)-[1,3]thiazolo[3,2-a]pyrimidin-4-ium
CID 5171195
2,3,5-trimethyl-1,3-thiazol-3-ium perchlorate
CID 44887122
iodanium;bis(2,4,6-trimethylpyridine);perchlorate
CID 11167278
CID 57358544
CID 57358544
1,4,6-trimethylpyrimidin-1-ium-2-thiolate;yttrium
CID 59922663
dimethyl 11,13-dimethyl-8-thia-4,5,10-triaza-1-azoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene-4,5-dicarboxylate bromide
CID 52997881
4,6-dimethylpyrimidin-1-ium-1,2-diamine
CID 22220794

Frequently Asked Questions

What is the IUPAC name of perchloric acid;2,5,7-trimethyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium?
The IUPAC name of perchloric acid;2,5,7-trimethyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium (CID 126959837) is perchloric acid;2,5,7-trimethyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium.
What is the SMILES notation for perchloric acid;2,5,7-trimethyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium?
The canonical SMILES for perchloric acid;2,5,7-trimethyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium is Cc1cc(C)[n+]2cc(C)sc2n1.[O-][Cl+3]([O-])([O-])O.
What is the InChIKey of perchloric acid;2,5,7-trimethyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium?
The InChIKey is UPSLEVUZDCDPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N2S.ClHO4/c1-6-4-7(2)11-5-8(3)12-9(11)10-6;2-1(3,4)5/h4-5H,1-3H3;(H,2,3,4,5)/q+1;.
What are the key properties of perchloric acid;2,5,7-trimethyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium?
perchloric acid;2,5,7-trimethyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium has a molecular weight of 279.73 g/mol, XLogP of -2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for perchloric acid;2,5,7-trimethyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium is sourced from PubChem (CID 126959837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).