CAS
913836-18-7 Purity
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913836-18-7 Purity
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4-Thiazolecarbothioicacid,s-methyl ester
CAS
913836-23-4
Catalog Number
ACM913836234
Category
Other Products
Molecular Weight
159.2293
Molecular Formula
C5H5NOS2
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Specification
Synonyms
S-Methyl thiazole-4-carbothioate, 913836-23-4, S-Methyl 1,3-thiazole-4-carbothioate, ACMC-209rb5, CTK5G9473, MolPort-001-767-692, S-Methyl thiazole-4-carbothioate,, ANW-39663, OR3551, ZINC12471791, AKOS006343028, AG-H-74993, QC-6249, KB-60465, (methylsulfanyl)(1,3-thiazol-4-yl)methanone, B-4363, I09-2167
IUPAC Name
S-methyl 1,3-thiazole-4-carbothioate
Canonical SMILES
CSC(=O)C1=CSC=N1
InChI Key
JCDANFLSZQWXJF-UHFFFAOYSA-N
Boiling Point
251.9ºC at 760 mmHg
Melting Point
65-67ºC
Flash Point
106.1ºC
Density
1.353g/cm³
Exact Mass
158.98100
Hazard Statements
Xi
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of the compound with PubChem CID 25307150?
The molecular formula is C5H5NOS2.
What is the molecular weight of the compound?
The molecular weight is 159.2 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is S-methyl 1,3-thiazole-4-carbothioate.
What is the InChIKey of the compound?
The InChIKey is JCDANFLSZQWXJF-UHFFFAOYSA-N.
How many hydrogen bond acceptor counts does the compound have?
The compound has 4 hydrogen bond acceptor counts.
What is the exact mass of the compound?
The exact mass is 158.98125613 g/mol.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the topological polar surface area of the compound?
The topological polar surface area is 83.5Ų.
How many rotatable bond counts does the compound have?
The compound has 2 rotatable bond counts.
What is the complexity value of the compound?
The complexity value is 118.
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