beryllium;hydride;thiourea

CH6BeN2S — CID 174830169

IUPACberyllium;hydride;thiourea
SMILESNC(N)=S.[Be+2].[H-].[H-]
InChIInChI=1S/CH4N2S.Be.2H/c2-1(3)4;;;/h(H4,2,3,4);;;/q;+2;2*-1
InChIKeyKUQPYXZUAJVZNZ-UHFFFAOYSA-N
MW87.15 g/mol
LogP-0.97
Rot. Bonds

About beryllium;hydride;thiourea

beryllium;hydride;thiourea (PubChem CID 174830169) has the molecular formula CH6BeN2S and a molecular weight of 87.15 g/mol. Its IUPAC name is beryllium;hydride;thiourea.

Molecular Properties

Compound Nameberyllium;hydride;thiourea
PubChem CID174830169
Molecular FormulaCH6BeN2S
Molecular Weight87.15 g/mol
Exact Mass87.04
IUPAC Nameberyllium;hydride;thiourea
SMILESNC(N)=S.[Be+2].[H-].[H-]
InChIInChI=1S/CH4N2S.Be.2H/c2-1(3)4;;;/h(H4,2,3,4);;;/q;+2;2*-1
InChIKeyKUQPYXZUAJVZNZ-UHFFFAOYSA-N
XLogP-0.97
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.15
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of beryllium;hydride;thiourea?
The IUPAC name of beryllium;hydride;thiourea (CID 174830169) is beryllium;hydride;thiourea.
What is the SMILES notation for beryllium;hydride;thiourea?
The canonical SMILES for beryllium;hydride;thiourea is NC(N)=S.[Be+2].[H-].[H-].
What is the InChIKey of beryllium;hydride;thiourea?
The InChIKey is KUQPYXZUAJVZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4N2S.Be.2H/c2-1(3)4;;;/h(H4,2,3,4);;;/q;+2;2*-1.
What are the key properties of beryllium;hydride;thiourea?
beryllium;hydride;thiourea has a molecular weight of 87.15 g/mol, XLogP of -0.97, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for beryllium;hydride;thiourea is sourced from PubChem (CID 174830169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).