(2-oxopropylamino)thiourea

C4H9N3OS — CID 140983866

IUPAC(2-oxopropylamino)thiourea
SMILESCC(=O)CNNC(N)=S
InChIInChI=1S/C4H9N3OS/c1-3(8)2-6-7-4(5)9/h6H,2H2,1H3,(H3,5,7,9)
InChIKeyXSDFOLXWTDQFQT-UHFFFAOYSA-N
MW147.20 g/mol
LogP-1.09
Rot. Bonds3

About (2-oxopropylamino)thiourea

(2-oxopropylamino)thiourea (PubChem CID 140983866) has the molecular formula C4H9N3OS and a molecular weight of 147.20 g/mol. Its IUPAC name is (2-oxopropylamino)thiourea.

Molecular Properties

Compound Name(2-oxopropylamino)thiourea
PubChem CID140983866
Molecular FormulaC4H9N3OS
Molecular Weight147.20 g/mol
Exact Mass147.05
IUPAC Name(2-oxopropylamino)thiourea
SMILESCC(=O)CNNC(N)=S
InChIInChI=1S/C4H9N3OS/c1-3(8)2-6-7-4(5)9/h6H,2H2,1H3,(H3,5,7,9)
InChIKeyXSDFOLXWTDQFQT-UHFFFAOYSA-N
XLogP-1.09
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 (2-oxopropylamino)thiourea?
The IUPAC name of (2-oxopropylamino)thiourea (CID 140983866) is (2-oxopropylamino)thiourea.
What is the SMILES notation for (2-oxopropylamino)thiourea?
The canonical SMILES for (2-oxopropylamino)thiourea is CC(=O)CNNC(N)=S.
What is the InChIKey of (2-oxopropylamino)thiourea?
The InChIKey is XSDFOLXWTDQFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3OS/c1-3(8)2-6-7-4(5)9/h6H,2H2,1H3,(H3,5,7,9).
What are the key properties of (2-oxopropylamino)thiourea?
(2-oxopropylamino)thiourea has a molecular weight of 147.20 g/mol, XLogP of -1.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxopropylamino)thiourea is sourced from PubChem (CID 140983866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).