sodium;(2-aminoethylamino)thiourea;hydride

C3H11N4NaS — CID 173458055

IUPACsodium;(2-aminoethylamino)thiourea;hydride
SMILESNCCNNC(N)=S.[H-].[Na+]
InChIInChI=1S/C3H10N4S.Na.H/c4-1-2-6-7-3(5)8;;/h6H,1-2,4H2,(H3,5,7,8);;/q;+1;-1
InChIKeyWMCGLVRZRTXGGM-UHFFFAOYSA-N
MW158.21 g/mol
LogP-4.60
Rot. Bonds3

About sodium;(2-aminoethylamino)thiourea;hydride

sodium;(2-aminoethylamino)thiourea;hydride (PubChem CID 173458055) has the molecular formula C3H11N4NaS and a molecular weight of 158.21 g/mol. Its IUPAC name is sodium;(2-aminoethylamino)thiourea;hydride.

Molecular Properties

Compound Namesodium;(2-aminoethylamino)thiourea;hydride
PubChem CID173458055
Molecular FormulaC3H11N4NaS
Molecular Weight158.21 g/mol
Exact Mass158.06
IUPAC Namesodium;(2-aminoethylamino)thiourea;hydride
SMILESNCCNNC(N)=S.[H-].[Na+]
InChIInChI=1S/C3H10N4S.Na.H/c4-1-2-6-7-3(5)8;;/h6H,1-2,4H2,(H3,5,7,8);;/q;+1;-1
InChIKeyWMCGLVRZRTXGGM-UHFFFAOYSA-N
XLogP-4.60
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.21
LogP ≤ 5-4.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Ethylhydrazinecarbothioamide
CID 22105028
Ethane-1,2-dithiosemicarbazide
CID 138478536
(2-Aminoethylamino)thiourea
CID 88830737
1-Amino-3-(propylamino)thiourea
CID 154127857
1-Amino-3-(ethylamino)thiourea
CID 154152356
1-[Ethyl(methylamino)amino]-3-(methylamino)thiourea
CID 154429208
1,3-Bis(ethylamino)thiourea
CID 174665728
3-Amino-1,1-bis(ethylamino)thiourea
CID 174665730
1,1-Bis(ethylamino)thiourea
CID 174677956

Frequently Asked Questions

What is the IUPAC name of sodium;(2-aminoethylamino)thiourea;hydride?
The IUPAC name of sodium;(2-aminoethylamino)thiourea;hydride (CID 173458055) is sodium;(2-aminoethylamino)thiourea;hydride.
What is the SMILES notation for sodium;(2-aminoethylamino)thiourea;hydride?
The canonical SMILES for sodium;(2-aminoethylamino)thiourea;hydride is NCCNNC(N)=S.[H-].[Na+].
What is the InChIKey of sodium;(2-aminoethylamino)thiourea;hydride?
The InChIKey is WMCGLVRZRTXGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N4S.Na.H/c4-1-2-6-7-3(5)8;;/h6H,1-2,4H2,(H3,5,7,8);;/q;+1;-1.
What are the key properties of sodium;(2-aminoethylamino)thiourea;hydride?
sodium;(2-aminoethylamino)thiourea;hydride has a molecular weight of 158.21 g/mol, XLogP of -4.60, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;(2-aminoethylamino)thiourea;hydride is sourced from PubChem (CID 173458055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).