ethylaminothiourea

C3H9N3S — CID 22105028

IUPACethylaminothiourea
SMILESCCNNC(N)=S
InChIInChI=1S/C3H9N3S/c1-2-5-6-3(4)7/h5H,2H2,1H3,(H3,4,6,7)
InChIKeyIDAYARXLWPWWNI-UHFFFAOYSA-N
MW119.19 g/mol
LogP-0.66
Rot. Bonds2

About ethylaminothiourea

ethylaminothiourea (PubChem CID 22105028) has the molecular formula C3H9N3S and a molecular weight of 119.19 g/mol. Its IUPAC name is ethylaminothiourea.

Molecular Properties

Compound Nameethylaminothiourea
PubChem CID22105028
Molecular FormulaC3H9N3S
Molecular Weight119.19 g/mol
Exact Mass119.05
IUPAC Nameethylaminothiourea
SMILESCCNNC(N)=S
InChIInChI=1S/C3H9N3S/c1-2-5-6-3(4)7/h5H,2H2,1H3,(H3,4,6,7)
InChIKeyIDAYARXLWPWWNI-UHFFFAOYSA-N
XLogP-0.66
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.19
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethylaminothiourea?
The IUPAC name of ethylaminothiourea (CID 22105028) is ethylaminothiourea.
What is the SMILES notation for ethylaminothiourea?
The canonical SMILES for ethylaminothiourea is CCNNC(N)=S.
What is the InChIKey of ethylaminothiourea?
The InChIKey is IDAYARXLWPWWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3S/c1-2-5-6-3(4)7/h5H,2H2,1H3,(H3,4,6,7).
What are the key properties of ethylaminothiourea?
ethylaminothiourea has a molecular weight of 119.19 g/mol, XLogP of -0.66, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethylaminothiourea is sourced from PubChem (CID 22105028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).