2-ethenylsulfanylethylurea

C5H10N2OS — CID 19811071

IUPAC2-ethenylsulfanylethylurea
SMILESC=CSCCNC(N)=O
InChIInChI=1S/C5H10N2OS/c1-2-9-4-3-7-5(6)8/h2H,1,3-4H2,(H3,6,7,8)
InChIKeyOIVBASQKZGSLAK-UHFFFAOYSA-N
MW146.22 g/mol
LogP0.53
Rot. Bonds4

About 2-ethenylsulfanylethylurea

2-ethenylsulfanylethylurea (PubChem CID 19811071) has the molecular formula C5H10N2OS and a molecular weight of 146.22 g/mol. Its IUPAC name is 2-ethenylsulfanylethylurea.

Molecular Properties

Compound Name2-ethenylsulfanylethylurea
PubChem CID19811071
Molecular FormulaC5H10N2OS
Molecular Weight146.22 g/mol
Exact Mass146.05
IUPAC Name2-ethenylsulfanylethylurea
SMILESC=CSCCNC(N)=O
InChIInChI=1S/C5H10N2OS/c1-2-9-4-3-7-5(6)8/h2H,1,3-4H2,(H3,6,7,8)
InChIKeyOIVBASQKZGSLAK-UHFFFAOYSA-N
XLogP0.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.22
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 21138948
CID 21322474
CID 21322474
CID 21333540
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CID 22949110
CID 22949110
CID 88807417
CID 88807417
CID 130316940
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CID 130549323
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CID 145753577
CID 145753577

Frequently Asked Questions

What is the IUPAC name of 2-ethenylsulfanylethylurea?
The IUPAC name of 2-ethenylsulfanylethylurea (CID 19811071) is 2-ethenylsulfanylethylurea.
What is the SMILES notation for 2-ethenylsulfanylethylurea?
The canonical SMILES for 2-ethenylsulfanylethylurea is C=CSCCNC(N)=O.
What is the InChIKey of 2-ethenylsulfanylethylurea?
The InChIKey is OIVBASQKZGSLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2OS/c1-2-9-4-3-7-5(6)8/h2H,1,3-4H2,(H3,6,7,8).
What are the key properties of 2-ethenylsulfanylethylurea?
2-ethenylsulfanylethylurea has a molecular weight of 146.22 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylsulfanylethylurea is sourced from PubChem (CID 19811071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).