AG006DIQ

Name: tert-Butyl 2-carbamothioylacetate
Brand: Angene Chemical
SKU: AG006DIQ

690-76-6 | tert-Butyl 2-carbamothioylacetate

AG006DIQ

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WARNING This product is not for human or veterinary use.

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CAS Number	690-76-6
Catalog Number	AG006DIQ(AGN-PC-0NL5XO)
Chemical Name	tert-Butyl 2-carbamothioylacetate
IUPAC Name	tert-butyl 3-amino-3-sulfanylidenepropanoate
InChI	InChI=1S/C7H13NO2S/c1-7(2,3)10-6(9)4-5(8)11/h4H2,1-3H3,(H2,8,11)
InChI Key	MRXPDEOWDKBHHK-UHFFFAOYSA-N
MDL Number	MFCD13195925
Molecular Formula	C7H13NO2S
Molecular Weight	175.2486
SMILES	O=C(OC(C)(C)C)CC(N)=S
Synonyms	tert-butyl 2-carbamothioylacetate, 690-76-6, tert-butyl 3-amino-3-thioxopropanoate, Propanoic acid, 3-amino-3-thioxo-, 1,1-dimethylethyl ester, tert-butyl 3-amino-3-sulfanylidenepropanoate, AC1Q1MQ7, SCHEMBL2086711, CTK1H5645, DTXSID40579503, ZINC34766377, SC-34604, EN300-53692, Amino(thiocarbonyl)acetic acid tert-butyl ester,

Complexity	172
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	175.067g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	175.246g/mol
Monoisotopic Mass	175.067g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	84.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

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