prop-1-ene;sulfane;urea

C4H12N2OS — CID 159147980

IUPACprop-1-ene;sulfane;urea
SMILESC=CC.NC(N)=O.S
InChIInChI=1S/C3H6.CH4N2O.H2S/c1-3-2;2-1(3)4;/h3H,1H2,2H3;(H4,2,3,4);1H2
InChIKeySOXFDDDTVHKMGJ-UHFFFAOYSA-N
MW136.22 g/mol
LogP0.33
Rot. Bonds

About prop-1-ene;sulfane;urea

prop-1-ene;sulfane;urea (PubChem CID 159147980) has the molecular formula C4H12N2OS and a molecular weight of 136.22 g/mol. Its IUPAC name is prop-1-ene;sulfane;urea.

Molecular Properties

Compound Nameprop-1-ene;sulfane;urea
PubChem CID159147980
Molecular FormulaC4H12N2OS
Molecular Weight136.22 g/mol
Exact Mass136.07
IUPAC Nameprop-1-ene;sulfane;urea
SMILESC=CC.NC(N)=O.S
InChIInChI=1S/C3H6.CH4N2O.H2S/c1-3-2;2-1(3)4;/h3H,1H2,2H3;(H4,2,3,4);1H2
InChIKeySOXFDDDTVHKMGJ-UHFFFAOYSA-N
XLogP0.33
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.22
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-1-ene;sulfane;urea?
The IUPAC name of prop-1-ene;sulfane;urea (CID 159147980) is prop-1-ene;sulfane;urea.
What is the SMILES notation for prop-1-ene;sulfane;urea?
The canonical SMILES for prop-1-ene;sulfane;urea is C=CC.NC(N)=O.S.
What is the InChIKey of prop-1-ene;sulfane;urea?
The InChIKey is SOXFDDDTVHKMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6.CH4N2O.H2S/c1-3-2;2-1(3)4;/h3H,1H2,2H3;(H4,2,3,4);1H2.
What are the key properties of prop-1-ene;sulfane;urea?
prop-1-ene;sulfane;urea has a molecular weight of 136.22 g/mol, XLogP of 0.33, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-ene;sulfane;urea is sourced from PubChem (CID 159147980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).