CAS
9034-32-6 Purity
N/A
9034-32-6 Purity
N/A
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3,3-dichlorothietane 1,1-dioxide
CAS
90344-85-7
Catalog Number
ACM90344857
Category
Other Products
Molecular Weight
175.033660 [g/mol]
Molecular Formula
C3H4Cl2O2S
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Specification
Synonyms
NSC331794, 3,3-dichlorothietane 1,1-dioxide, CID332743, S09-0099, 90344-85-7
IUPAC Name
3,3-dichlorothietane 1,1-dioxide
Canonical SMILES
C1C(CS1(=O)=O)(Cl)Cl
InChI Key
XOGKESLEKUJQHQ-UHFFFAOYSA-N
Boiling Point
377.1ºC at 760mmHg
Flash Point
181.9ºC
Density
1.69g/cm³
Exact Mass
173.93100
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 3,3-dichlorothietane 1,1-dioxide?
The molecular formula is C3H4Cl2O2S.
When was 3,3-dichlorothietane 1,1-dioxide created in PubChem?
It was created on March 26, 2005.
What is the molecular weight of 3,3-dichlorothietane 1,1-dioxide?
The molecular weight is 175.03 g/mol.
What is the InChIKey of 3,3-dichlorothietane 1,1-dioxide?
The InChIKey is XOGKESLEKUJQHQ-UHFFFAOYSA-N.
How many hydrogen bond acceptors does 3,3-dichlorothietane 1,1-dioxide have?
It has 2 hydrogen bond acceptors.
What is the canonical SMILES representation of 3,3-dichlorothietane 1,1-dioxide?
The canonical SMILES is C1C(CS1(=O)=O)(Cl)Cl.
What is the exact mass of 3,3-dichlorothietane 1,1-dioxide?
The exact mass is 173.9309059 g/mol.
How many rotatable bond counts does 3,3-dichlorothietane 1,1-dioxide have?
It has 0 rotatable bond counts.
Is 3,3-dichlorothietane 1,1-dioxide a canonicalized compound in PubChem?
Yes, the compound is canonicalized.
What is the topological polar surface area of 3,3-dichlorothietane 1,1-dioxide?
The topological polar surface area is 42.5 Ų.
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