Home Other Building Blocks 2-(hydroxymethyl)-1??-thiane-1,1-dione

2-(hydroxymethyl)-1??-thiane-1,1-dione

CAS No.:
1421604-18-3
Catalog Number:
AG019ZVB
Molecular Formula:
C6H12O3S
Molecular Weight:
164.2227
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Product Description
Catalog Number:
AG019ZVB
Chemical Name:
2-(hydroxymethyl)-1??-thiane-1,1-dione
CAS Number:
1421604-18-3
Molecular Formula:
C6H12O3S
Molecular Weight:
164.2227
MDL Number:
MFCD22391977
IUPAC Name:
(1,1-dioxothian-2-yl)methanol
InChI:
InChI=1S/C6H12O3S/c7-5-6-3-1-2-4-10(6,8)9/h6-7H,1-5H2
InChI Key:
YKNWOCJTEFXXAW-UHFFFAOYSA-N
SMILES:
OCC1CCCCS1(=O)=O
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.051g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
164.219g/mol
Monoisotopic Mass:
164.051g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties