azane;sulfooxy hydrogen sulfate;thiourea

CH12N4O8S3 — CID 175196576

IUPACazane;sulfooxy hydrogen sulfate;thiourea
SMILESN.N.NC(N)=S.O=S(=O)(O)OOS(=O)(=O)O
InChIInChI=1S/CH4N2S.2H3N.H2O8S2/c2-1(3)4;;;1-9(2,3)7-8-10(4,5)6/h(H4,2,3,4);2*1H3;(H,1,2,3)(H,4,5,6)
InChIKeyRKTSIZPBCVJKBO-UHFFFAOYSA-N
MW304.33 g/mol
LogP-1.95
Rot. Bonds3

About azane;sulfooxy hydrogen sulfate;thiourea

azane;sulfooxy hydrogen sulfate;thiourea (PubChem CID 175196576) has the molecular formula CH12N4O8S3 and a molecular weight of 304.33 g/mol. Its IUPAC name is azane;sulfooxy hydrogen sulfate;thiourea.

Molecular Properties

Compound Nameazane;sulfooxy hydrogen sulfate;thiourea
PubChem CID175196576
Molecular FormulaCH12N4O8S3
Molecular Weight304.33 g/mol
Exact Mass303.98
IUPAC Nameazane;sulfooxy hydrogen sulfate;thiourea
SMILESN.N.NC(N)=S.O=S(=O)(O)OOS(=O)(=O)O
InChIInChI=1S/CH4N2S.2H3N.H2O8S2/c2-1(3)4;;;1-9(2,3)7-8-10(4,5)6/h(H4,2,3,4);2*1H3;(H,1,2,3)(H,4,5,6)
InChIKeyRKTSIZPBCVJKBO-UHFFFAOYSA-N
XLogP-1.95
TPSA249.24 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.33
LogP ≤ 5-1.95
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

azane;sulfooxy hydrogen sulfate;hydrochloride
CID 173178909
sulfooxy hydrogen sulfate
CID 24413
O-sulfooxy carbamothioate
CID 156613365
sulfooxy hydrogen sulfate;hydrobromide
CID 172791848
sodium;sulfooxy hydrogen sulfate;hydroxide
CID 159457891
potassium;hydride;sulfooxy hydrogen sulfate
CID 175284935
azane;phosphoric acid;sulfooxy hydrogen sulfate
CID 175303783
chloromethyl hydrogen sulfate;thiourea
CID 174353693
bis(1,1-diethylhydrazine);sulfooxy hydrogen sulfate
CID 173365079
hydrogen sulfate;iron(3+);sulfooxy hydrogen sulfate
CID 19609642
sodium;formaldehyde;hydride;sulfooxy hydrogen sulfate
CID 173280994
acetonitrile;azane;sulfooxy hydrogen sulfate
CID 174690756

Frequently Asked Questions

What is the IUPAC name of azane;sulfooxy hydrogen sulfate;thiourea?
The IUPAC name of azane;sulfooxy hydrogen sulfate;thiourea (CID 175196576) is azane;sulfooxy hydrogen sulfate;thiourea.
What is the SMILES notation for azane;sulfooxy hydrogen sulfate;thiourea?
The canonical SMILES for azane;sulfooxy hydrogen sulfate;thiourea is N.N.NC(N)=S.O=S(=O)(O)OOS(=O)(=O)O.
What is the InChIKey of azane;sulfooxy hydrogen sulfate;thiourea?
The InChIKey is RKTSIZPBCVJKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4N2S.2H3N.H2O8S2/c2-1(3)4;;;1-9(2,3)7-8-10(4,5)6/h(H4,2,3,4);2*1H3;(H,1,2,3)(H,4,5,6).
What are the key properties of azane;sulfooxy hydrogen sulfate;thiourea?
azane;sulfooxy hydrogen sulfate;thiourea has a molecular weight of 304.33 g/mol, XLogP of -1.95, 3 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for azane;sulfooxy hydrogen sulfate;thiourea is sourced from PubChem (CID 175196576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).