thiourea;tetrahydrobromide

C4H20Br4N8S4 — CID 173150762

IUPACthiourea;tetrahydrobromide
SMILESBr.Br.Br.Br.NC(N)=S.NC(N)=S.NC(N)=S.NC(N)=S
InChIInChI=1S/4CH4N2S.4BrH/c4*2-1(3)4;;;;/h4*(H4,2,3,4);4*1H
InChIKeyJZPWPYKPYBXOAY-UHFFFAOYSA-N
MW628.14 g/mol
LogP-0.93
Rot. Bonds

About thiourea;tetrahydrobromide

thiourea;tetrahydrobromide (PubChem CID 173150762) has the molecular formula C4H20Br4N8S4 and a molecular weight of 628.14 g/mol. Its IUPAC name is thiourea;tetrahydrobromide.

Molecular Properties

Compound Namethiourea;tetrahydrobromide
PubChem CID173150762
Molecular FormulaC4H20Br4N8S4
Molecular Weight628.14 g/mol
Exact Mass623.74
IUPAC Namethiourea;tetrahydrobromide
SMILESBr.Br.Br.Br.NC(N)=S.NC(N)=S.NC(N)=S.NC(N)=S
InChIInChI=1S/4CH4N2S.4BrH/c4*2-1(3)4;;;;/h4*(H4,2,3,4);4*1H
InChIKeyJZPWPYKPYBXOAY-UHFFFAOYSA-N
XLogP-0.93
TPSA208.16 Ų
H-Bond Donors8
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.14
LogP ≤ 5-0.93
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of thiourea;tetrahydrobromide?
The IUPAC name of thiourea;tetrahydrobromide (CID 173150762) is thiourea;tetrahydrobromide.
What is the SMILES notation for thiourea;tetrahydrobromide?
The canonical SMILES for thiourea;tetrahydrobromide is Br.Br.Br.Br.NC(N)=S.NC(N)=S.NC(N)=S.NC(N)=S.
What is the InChIKey of thiourea;tetrahydrobromide?
The InChIKey is JZPWPYKPYBXOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/4CH4N2S.4BrH/c4*2-1(3)4;;;;/h4*(H4,2,3,4);4*1H.
What are the key properties of thiourea;tetrahydrobromide?
thiourea;tetrahydrobromide has a molecular weight of 628.14 g/mol, XLogP of -0.93, 0 rotatable bonds, 8 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thiourea;tetrahydrobromide is sourced from PubChem (CID 173150762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).