(ethylcarbamothioylamino)urea

C4H10N4OS — CID 3981044

IUPAC(ethylcarbamothioylamino)urea
SMILESCCNC(=S)NNC(N)=O
InChIInChI=1S/C4H10N4OS/c1-2-6-4(10)8-7-3(5)9/h2H2,1H3,(H3,5,7,9)(H2,6,8,10)
InChIKeyANSLBOJSHUXHKH-UHFFFAOYSA-N
MW162.22 g/mol
LogP-0.95
Rot. Bonds1

About (ethylcarbamothioylamino)urea

(ethylcarbamothioylamino)urea (PubChem CID 3981044) has the molecular formula C4H10N4OS and a molecular weight of 162.22 g/mol. Its IUPAC name is (ethylcarbamothioylamino)urea.

Molecular Properties

Compound Name(ethylcarbamothioylamino)urea
PubChem CID3981044
Molecular FormulaC4H10N4OS
Molecular Weight162.22 g/mol
Exact Mass162.06
IUPAC Name(ethylcarbamothioylamino)urea
SMILESCCNC(=S)NNC(N)=O
InChIInChI=1S/C4H10N4OS/c1-2-6-4(10)8-7-3(5)9/h2H2,1H3,(H3,5,7,9)(H2,6,8,10)
InChIKeyANSLBOJSHUXHKH-UHFFFAOYSA-N
XLogP-0.95
TPSA79.18 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.22
LogP ≤ 5-0.95
H-Bond Donors ≤ 54
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 (ethylcarbamothioylamino)urea?
The IUPAC name of (ethylcarbamothioylamino)urea (CID 3981044) is (ethylcarbamothioylamino)urea.
What is the SMILES notation for (ethylcarbamothioylamino)urea?
The canonical SMILES for (ethylcarbamothioylamino)urea is CCNC(=S)NNC(N)=O.
What is the InChIKey of (ethylcarbamothioylamino)urea?
The InChIKey is ANSLBOJSHUXHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N4OS/c1-2-6-4(10)8-7-3(5)9/h2H2,1H3,(H3,5,7,9)(H2,6,8,10).
What are the key properties of (ethylcarbamothioylamino)urea?
(ethylcarbamothioylamino)urea has a molecular weight of 162.22 g/mol, XLogP of -0.95, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (ethylcarbamothioylamino)urea is sourced from PubChem (CID 3981044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).