dihydroxy-methyl-propyl-λ4-sulfane

C4H12O2S — CID 144593661

IUPACdihydroxy-methyl-propyl-λ4-sulfane
SMILESCCCS(C)(O)O
InChIInChI=1S/C4H12O2S/c1-3-4-7(2,5)6/h5-6H,3-4H2,1-2H3
InChIKeyGRSJGLMNZRPPBU-UHFFFAOYSA-N
MW124.20 g/mol
LogP1.78
Rot. Bonds2

About dihydroxy-methyl-propyl-λ4-sulfane

dihydroxy-methyl-propyl-λ4-sulfane (PubChem CID 144593661) has the molecular formula C4H12O2S and a molecular weight of 124.20 g/mol. Its IUPAC name is dihydroxy-methyl-propyl-λ4-sulfane.

Molecular Properties

Compound Namedihydroxy-methyl-propyl-λ4-sulfane
PubChem CID144593661
Molecular FormulaC4H12O2S
Molecular Weight124.20 g/mol
Exact Mass124.06
IUPAC Namedihydroxy-methyl-propyl-λ4-sulfane
SMILESCCCS(C)(O)O
InChIInChI=1S/C4H12O2S/c1-3-4-7(2,5)6/h5-6H,3-4H2,1-2H3
InChIKeyGRSJGLMNZRPPBU-UHFFFAOYSA-N
XLogP1.78
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.20
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(amino-hydroxy-propyl-λ6-sulfanylidyne)oxidanium
CID 146963287
methanesulfonic acid;propane-1-sulfonic acid
CID 87924907
hydroxy-oxo-propyl-tellanylidene-λ6-sulfane
CID 139949635
CID 121393600
CID 121393600
ethane;pentakis(propane-1-sulfonic acid)
CID 158893831
3-[dihydroxy(methyl)-λ4-sulfanyl]propan-1-amine
CID 143992140
hydrazine;propane-1-sulfonic acid
CID 159325511
diethyl-methyl-propyl-λ4-sulfane
CID 87264764
N-[dihydroxy(propyl)-λ4-sulfanyl]methanamine;ethane
CID 156889407
hydroxy-dimethyl-octadecyl-λ4-sulfane
CID 163231362
1-[1,2,2-tris(propylsulfonyl)ethenylsulfonyl]propane
CID 3457689
dioxetane;propane-1-sulfonic acid
CID 87756026

Frequently Asked Questions

What is the IUPAC name of dihydroxy-methyl-propyl-λ4-sulfane?
The IUPAC name of dihydroxy-methyl-propyl-λ4-sulfane (CID 144593661) is dihydroxy-methyl-propyl-λ4-sulfane.
What is the SMILES notation for dihydroxy-methyl-propyl-λ4-sulfane?
The canonical SMILES for dihydroxy-methyl-propyl-λ4-sulfane is CCCS(C)(O)O.
What is the InChIKey of dihydroxy-methyl-propyl-λ4-sulfane?
The InChIKey is GRSJGLMNZRPPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12O2S/c1-3-4-7(2,5)6/h5-6H,3-4H2,1-2H3.
What are the key properties of dihydroxy-methyl-propyl-λ4-sulfane?
dihydroxy-methyl-propyl-λ4-sulfane has a molecular weight of 124.20 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-methyl-propyl-λ4-sulfane is sourced from PubChem (CID 144593661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).