AG007VVJ

Name: tert-butyl 3-isothiocyanatopropanoate
Brand: Angene Chemical
SKU: AG007VVJ

172422-02-5 | tert-butyl 3-isothiocyanatopropanoate

AG007VVJ

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CAS Number	172422-02-5
Catalog Number	AG007VVJ(AGN-PC-0QA49V)
Chemical Name	tert-butyl 3-isothiocyanatopropanoate
IUPAC Name	tert-butyl 3-isothiocyanatopropanoate
InChI	InChI=1S/C8H13NO2S/c1-8(2,3)11-7(10)4-5-9-6-12/h4-5H2,1-3H3
InChI Key	HEWUEFIMRQQSSL-UHFFFAOYSA-N
MDL Number	MFCD01869157
Molecular Formula	C8H13NO2S
Molecular Weight	187.2593
SMILES	CC(OC(CCN=C=S)=O)(C)C
Synonyms	TERT-BUTYL 3-ISOTHIOCYANATOPROPIONATE, 172422-02-5, tert-butyl 3-isothiocyanatopropanoate, tert-butyl-3-isothiocyanatopropionate, Propanoicacid, 3-isothiocyanato-, 1,1-dimethylethyl ester (9CI), AC1MBVJ1, AC1Q1MQD, SCHEMBL8455009, CTK4D4226, DTXSID10373818, HEWUEFIMRQQSSL-UHFFFAOYSA-N, ZINC2387363, 5546AD, MFCD01869157, AKOS006345712, FS-5448, RTR-007596, ACM172422025, FT-0682066, I09-2840, Propanoicacid,3-isothiocyanato-,1,1-dimethylethyl ester(9ci), C8H13NO2S, ZINC02387363, CID2757291,

Complexity	202
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	187.067g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	187.257g/mol
Monoisotopic Mass	187.067g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	70.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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