CAS
91640-63-0 Purity
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91640-63-0 Purity
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Ethanethioic acid,[[(phenylmethoxy)carbonyl]amino]-,o-ethyl ester
CAS
91641-80-4
Catalog Number
ACM91641804
Category
Other Products
Molecular Weight
253.317400 [g/mol]
Molecular Formula
C12H15NO3S
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Specification
Synonyms
Ethanethioic acid, [[(phenylmethoxy)carbonyl]amino]-, O-ethyl ester, 91641-80-4, ACMC-20lupm, CTK3I0639, AG-H-76365
IUPAC Name
O-ethyl 2-(phenylmethoxycarbonylamino)ethanethioate
Canonical SMILES
CCOC(=S)CNC(=O)OCC1=CC=CC=C1
InChI Key
ZDMDPWZIBHMTHO-UHFFFAOYSA-N
Exact Mass
253.07700
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of Ethanethioic acid, [[(phenylmethoxy)carbonyl]amino]-,o-ethyl ester?
The molecular formula is C12H15NO3S.
When was PubChem CID 13905976 created?
It was created on February 8, 2007.
What is the InChI of Ethanethioic acid, [[(phenylmethoxy)carbonyl]amino]-,o-ethyl ester?
The InChI is InChI=1S/C12H15NO3S/c1-2-15-11(17)8-13-12(14)16-9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,14).
What is the molecular weight of Ethanethioic acid, [[(phenylmethoxy)carbonyl]amino]-,o-ethyl ester?
The molecular weight is 253.32 g/mol.
How many Hydrogen Bond Donor Count does this compound have?
It has 1 Hydrogen Bond Donor Count.
What is the Formal Charge of Ethanethioic acid, [[(phenylmethoxy)carbonyl]amino]-,o-ethyl ester?
The Formal Charge is 0.
Is the Compound Is Canonicalized?
Yes, the compound is canonicalized.
How many Rotatable Bond Count does this compound have?
It has 7 Rotatable Bond Count.
What is the Exact Mass of Ethanethioic acid, [[(phenylmethoxy)carbonyl]amino]-,o-ethyl ester?
The Exact Mass is 253.07726451 g/mol.
What is the Topological Polar Surface Area of this compound?
The Topological Polar Surface Area is 79.6 Ų.
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