3-prop-2-enylsulfanylprop-1-ene;urea

C7H14N2OS — CID 174462951

IUPAC3-prop-2-enylsulfanylprop-1-ene;urea
SMILESC=CCSCC=C.NC(N)=O
InChIInChI=1S/C6H10S.CH4N2O/c1-3-5-7-6-4-2;2-1(3)4/h3-4H,1-2,5-6H2;(H4,2,3,4)
InChIKeyGFHGNNNPZQMAGU-UHFFFAOYSA-N
MW174.27 g/mol
LogP1.12
Rot. Bonds4

About 3-prop-2-enylsulfanylprop-1-ene;urea

3-prop-2-enylsulfanylprop-1-ene;urea (PubChem CID 174462951) has the molecular formula C7H14N2OS and a molecular weight of 174.27 g/mol. Its IUPAC name is 3-prop-2-enylsulfanylprop-1-ene;urea.

Molecular Properties

Compound Name3-prop-2-enylsulfanylprop-1-ene;urea
PubChem CID174462951
Molecular FormulaC7H14N2OS
Molecular Weight174.27 g/mol
Exact Mass174.08
IUPAC Name3-prop-2-enylsulfanylprop-1-ene;urea
SMILESC=CCSCC=C.NC(N)=O
InChIInChI=1S/C6H10S.CH4N2O/c1-3-5-7-6-4-2;2-1(3)4/h3-4H,1-2,5-6H2;(H4,2,3,4)
InChIKeyGFHGNNNPZQMAGU-UHFFFAOYSA-N
XLogP1.12
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enylsulfanylprop-1-ene;urea?
The IUPAC name of 3-prop-2-enylsulfanylprop-1-ene;urea (CID 174462951) is 3-prop-2-enylsulfanylprop-1-ene;urea.
What is the SMILES notation for 3-prop-2-enylsulfanylprop-1-ene;urea?
The canonical SMILES for 3-prop-2-enylsulfanylprop-1-ene;urea is C=CCSCC=C.NC(N)=O.
What is the InChIKey of 3-prop-2-enylsulfanylprop-1-ene;urea?
The InChIKey is GFHGNNNPZQMAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10S.CH4N2O/c1-3-5-7-6-4-2;2-1(3)4/h3-4H,1-2,5-6H2;(H4,2,3,4).
What are the key properties of 3-prop-2-enylsulfanylprop-1-ene;urea?
3-prop-2-enylsulfanylprop-1-ene;urea has a molecular weight of 174.27 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enylsulfanylprop-1-ene;urea is sourced from PubChem (CID 174462951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).