CAS
97399-78-5 Purity
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97399-78-5 Purity
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3-Allyl-1-methyl-2-thioxoimidazolidin-4-one
CAS
97403-83-3
Catalog Number
ACM97403833
Category
Other Products
Molecular Weight
170.232100 [g/mol]
Molecular Formula
C7H10N2OS
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Specification
Synonyms
EINECS 306-745-0, MolPort-000-893-908, STK350633, ZINC02799860, CID3024866, 3-Allyl-1-methyl-2-thioxoimidazolidin-4-one, 1-methyl-3-(prop-2-en-1-yl)-2-thioxoimidazolidin-4-one, 97403-83-3
IUPAC Name
1-methyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
InChI Key
CSOZJWJXTNWDRD-UHFFFAOYSA-N
Boiling Point
222.9ºC at 760mmHg
Flash Point
88.6ºC
Density
1.24g/cm³
Exact Mass
170.05100
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of 3-Allyl-1-methyl-2-thioxoimidazolidin-4-one?
The molecular formula is C7H10N2OS.
What is the molecular weight of 3-Allyl-1-methyl-2-thioxoimidazolidin-4-one?
The molecular weight is 170.23 g/mol.
When was this compound created and last modified according to PubChem?
It was created on 2005-08-08 and last modified on 2023-12-30.
What is the IUPAC name of 3-Allyl-1-methyl-2-thioxoimidazolidin-4-one?
The IUPAC name is 1-methyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one.
What is the Canonical SMILES of this compound?
The Canonical SMILES is CN1CC(=O)N(C1=S)CC=C.
What is the InChIKey of 3-Allyl-1-methyl-2-thioxoimidazolidin-4-one?
The InChIKey is CSOZJWJXTNWDRD-UHFFFAOYSA-N.
What is the CAS number of this compound?
The CAS number is 97403-83-3.
What is the XLogP3-AA value of 3-Allyl-1-methyl-2-thioxoimidazolidin-4-one?
The XLogP3-AA value is 0.6.
How many hydrogen bond acceptors are there in this compound?
There are 2 hydrogen bond acceptors.
Is the compound canonicalized according to PubChem?
Yes, the compound is canonicalized.
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