2-amino-2-(hydroxymethyl)propane-1,3-diol;1-bromo-4-chlorobenzene;sulfane

C10H17BrClNO3S — CID 69444864

IUPAC2-amino-2-(hydroxymethyl)propane-1,3-diol;1-bromo-4-chlorobenzene;sulfane
SMILESClc1ccc(Br)cc1.NC(CO)(CO)CO.S
InChIInChI=1S/C6H4BrCl.C4H11NO3.H2S/c7-5-1-3-6(8)4-2-5;5-4(1-6,2-7)3-8;/h1-4H;6-8H,1-3,5H2;1H2
InChIKeyDIJSRKGJEKOXAV-UHFFFAOYSA-N
MW346.67 g/mol
LogP0.88
Rot. Bonds3

About 2-amino-2-(hydroxymethyl)propane-1,3-diol;1-bromo-4-chlorobenzene;sulfane

2-amino-2-(hydroxymethyl)propane-1,3-diol;1-bromo-4-chlorobenzene;sulfane (PubChem CID 69444864) has the molecular formula C10H17BrClNO3S and a molecular weight of 346.67 g/mol. Its IUPAC name is 2-amino-2-(hydroxymethyl)propane-1,3-diol;1-bromo-4-chlorobenzene;sulfane.

Molecular Properties

Compound Name2-amino-2-(hydroxymethyl)propane-1,3-diol;1-bromo-4-chlorobenzene;sulfane
PubChem CID69444864
Molecular FormulaC10H17BrClNO3S
Molecular Weight346.67 g/mol
Exact Mass344.98
IUPAC Name2-amino-2-(hydroxymethyl)propane-1,3-diol;1-bromo-4-chlorobenzene;sulfane
SMILESClc1ccc(Br)cc1.NC(CO)(CO)CO.S
InChIInChI=1S/C6H4BrCl.C4H11NO3.H2S/c7-5-1-3-6(8)4-2-5;5-4(1-6,2-7)3-8;/h1-4H;6-8H,1-3,5H2;1H2
InChIKeyDIJSRKGJEKOXAV-UHFFFAOYSA-N
XLogP0.88
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.67
LogP ≤ 50.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(hydroxymethyl)propane-1,3-diol;1-bromo-4-chlorobenzene;sulfane?
The IUPAC name of 2-amino-2-(hydroxymethyl)propane-1,3-diol;1-bromo-4-chlorobenzene;sulfane (CID 69444864) is 2-amino-2-(hydroxymethyl)propane-1,3-diol;1-bromo-4-chlorobenzene;sulfane.
What is the SMILES notation for 2-amino-2-(hydroxymethyl)propane-1,3-diol;1-bromo-4-chlorobenzene;sulfane?
The canonical SMILES for 2-amino-2-(hydroxymethyl)propane-1,3-diol;1-bromo-4-chlorobenzene;sulfane is Clc1ccc(Br)cc1.NC(CO)(CO)CO.S.
What is the InChIKey of 2-amino-2-(hydroxymethyl)propane-1,3-diol;1-bromo-4-chlorobenzene;sulfane?
The InChIKey is DIJSRKGJEKOXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrCl.C4H11NO3.H2S/c7-5-1-3-6(8)4-2-5;5-4(1-6,2-7)3-8;/h1-4H;6-8H,1-3,5H2;1H2.
What are the key properties of 2-amino-2-(hydroxymethyl)propane-1,3-diol;1-bromo-4-chlorobenzene;sulfane?
2-amino-2-(hydroxymethyl)propane-1,3-diol;1-bromo-4-chlorobenzene;sulfane has a molecular weight of 346.67 g/mol, XLogP of 0.88, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(hydroxymethyl)propane-1,3-diol;1-bromo-4-chlorobenzene;sulfane is sourced from PubChem (CID 69444864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).