AG00834N

Name: Methyl 3-carbamothioylbenzoate
Brand: Angene Chemical
SKU: AG00834N

106748-27-0 | Methyl 3-carbamothioylbenzoate

AG00834N

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CAS Number	106748-27-0
Catalog Number	AG00834N(AGN-PC-040LNL)
Chemical Name	Methyl 3-carbamothioylbenzoate
IUPAC Name	methyl 3-carbamothioylbenzoate
InChI	InChI=1S/C9H9NO2S/c1-12-9(11)7-4-2-3-6(5-7)8(10)13/h2-5H,1H3,(H2,10,13)
InChI Key	MBBRSLODSVCTGY-UHFFFAOYSA-N
MDL Number	MFCD20233581
Molecular Formula	C9H9NO2S
Molecular Weight	195.2383
SMILES	COC(C1=CC(C(N)=S)=CC=C1)=O
Synonyms	methyl 3-carbamothioylbenzoate, 106748-27-0, 3-(METHOXYCARBONYL)THIOBENZAMIDE, methyl 3-thiocarbamoylbenzoate, SCHEMBL2308462, CTK4A4743, DTXSID30632459, MBBRSLODSVCTGY-UHFFFAOYSA-N, ZINC71372441, NE38120, 3-Thiocarbamoylbenzoic acid methyl ester, 3-thiocarbamoyl-benzoic acid methyl ester, EN300-85145,

Complexity	218
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	195.035g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	195.236g/mol
Monoisotopic Mass	195.035g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	84.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited