boric acid;thiourea;urea

C2H11BN4O4S — CID 87857793

IUPACboric acid;thiourea;urea
SMILESNC(N)=O.NC(N)=S.OB(O)O
InChIInChI=1S/CH4N2O.CH4N2S.BH3O3/c3*2-1(3)4/h2*(H4,2,3,4);2-4H
InChIKeyFPOMUZXKYRFTSU-UHFFFAOYSA-N
MW198.01 g/mol
LogP-3.84
Rot. Bonds

About boric acid;thiourea;urea

boric acid;thiourea;urea (PubChem CID 87857793) has the molecular formula C2H11BN4O4S and a molecular weight of 198.01 g/mol. Its IUPAC name is boric acid;thiourea;urea.

Molecular Properties

Compound Nameboric acid;thiourea;urea
PubChem CID87857793
Molecular FormulaC2H11BN4O4S
Molecular Weight198.01 g/mol
Exact Mass198.06
IUPAC Nameboric acid;thiourea;urea
SMILESNC(N)=O.NC(N)=S.OB(O)O
InChIInChI=1S/CH4N2O.CH4N2S.BH3O3/c3*2-1(3)4/h2*(H4,2,3,4);2-4H
InChIKeyFPOMUZXKYRFTSU-UHFFFAOYSA-N
XLogP-3.84
TPSA181.84 Ų
H-Bond Donors7
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500198.01
LogP ≤ 5-3.84
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 636363
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thiourea;tetrahydrobromide
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ruthenium;urea
CID 161030938
barium(2+);urea
CID 22402807
azane;urea
CID 158949980
CID 87675783
CID 87675783
CID 159010976
CID 159010976
silane;thiourea
CID 159977961
lithium urea
CID 22107644

Frequently Asked Questions

What is the IUPAC name of boric acid;thiourea;urea?
The IUPAC name of boric acid;thiourea;urea (CID 87857793) is boric acid;thiourea;urea.
What is the SMILES notation for boric acid;thiourea;urea?
The canonical SMILES for boric acid;thiourea;urea is NC(N)=O.NC(N)=S.OB(O)O.
What is the InChIKey of boric acid;thiourea;urea?
The InChIKey is FPOMUZXKYRFTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4N2O.CH4N2S.BH3O3/c3*2-1(3)4/h2*(H4,2,3,4);2-4H.
What are the key properties of boric acid;thiourea;urea?
boric acid;thiourea;urea has a molecular weight of 198.01 g/mol, XLogP of -3.84, 0 rotatable bonds, 7 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;thiourea;urea is sourced from PubChem (CID 87857793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).