[amino-[4-(2-hydroxypropan-2-yl)phenyl]-oxo-λ6-sulfanylidene]urea

C10H15N3O3S — CID 146610620

IUPAC[amino-[4-(2-hydroxypropan-2-yl)phenyl]-oxo-λ6-sulfanylidene]urea
SMILESCC(C)(O)c1ccc(S(N)(=O)=NC(N)=O)cc1
InChIInChI=1S/C10H15N3O3S/c1-10(2,15)7-3-5-8(6-4-7)17(12,16)13-9(11)14/h3-6,15H,1-2H3,(H4,11,12,13,14,16)
InChIKeyVEDZYKWPQIGBHV-UHFFFAOYSA-N
MW257.32 g/mol
LogP0.69
Rot. Bonds2

About [amino-[4-(2-hydroxypropan-2-yl)phenyl]-oxo-λ6-sulfanylidene]urea

[amino-[4-(2-hydroxypropan-2-yl)phenyl]-oxo-λ6-sulfanylidene]urea (PubChem CID 146610620) has the molecular formula C10H15N3O3S and a molecular weight of 257.32 g/mol. Its IUPAC name is [amino-[4-(2-hydroxypropan-2-yl)phenyl]-oxo-λ6-sulfanylidene]urea.

Molecular Properties

Compound Name[amino-[4-(2-hydroxypropan-2-yl)phenyl]-oxo-λ6-sulfanylidene]urea
PubChem CID146610620
Molecular FormulaC10H15N3O3S
Molecular Weight257.32 g/mol
Exact Mass257.08
IUPAC Name[amino-[4-(2-hydroxypropan-2-yl)phenyl]-oxo-λ6-sulfanylidene]urea
SMILESCC(C)(O)c1ccc(S(N)(=O)=NC(N)=O)cc1
InChIInChI=1S/C10H15N3O3S/c1-10(2,15)7-3-5-8(6-4-7)17(12,16)13-9(11)14/h3-6,15H,1-2H3,(H4,11,12,13,14,16)
InChIKeyVEDZYKWPQIGBHV-UHFFFAOYSA-N
XLogP0.69
TPSA118.77 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [amino-[4-(2-hydroxypropan-2-yl)phenyl]-oxo-λ6-sulfanylidene]urea?
The IUPAC name of [amino-[4-(2-hydroxypropan-2-yl)phenyl]-oxo-λ6-sulfanylidene]urea (CID 146610620) is [amino-[4-(2-hydroxypropan-2-yl)phenyl]-oxo-λ6-sulfanylidene]urea.
What is the SMILES notation for [amino-[4-(2-hydroxypropan-2-yl)phenyl]-oxo-λ6-sulfanylidene]urea?
The canonical SMILES for [amino-[4-(2-hydroxypropan-2-yl)phenyl]-oxo-λ6-sulfanylidene]urea is CC(C)(O)c1ccc(S(N)(=O)=NC(N)=O)cc1.
What is the InChIKey of [amino-[4-(2-hydroxypropan-2-yl)phenyl]-oxo-λ6-sulfanylidene]urea?
The InChIKey is VEDZYKWPQIGBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-10(2,15)7-3-5-8(6-4-7)17(12,16)13-9(11)14/h3-6,15H,1-2H3,(H4,11,12,13,14,16).
What are the key properties of [amino-[4-(2-hydroxypropan-2-yl)phenyl]-oxo-λ6-sulfanylidene]urea?
[amino-[4-(2-hydroxypropan-2-yl)phenyl]-oxo-λ6-sulfanylidene]urea has a molecular weight of 257.32 g/mol, XLogP of 0.69, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-[4-(2-hydroxypropan-2-yl)phenyl]-oxo-λ6-sulfanylidene]urea is sourced from PubChem (CID 146610620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).