AG00528P

Name: isothiocyanatocycloheptane
Brand: Angene Chemical
SKU: AG00528P

81542-16-7 | isothiocyanatocycloheptane

AG00528P

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COA

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WARNING This product is not for human or veterinary use.

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CAS Number	81542-16-7
Catalog Number	AG00528P(AGN-PC-0KL7HJ)
Chemical Name	isothiocyanatocycloheptane
IUPAC Name	isothiocyanatocycloheptane
InChI	InChI=1S/C8H13NS/c10-7-9-8-5-3-1-2-4-6-8/h8H,1-6H2
InChI Key	ZGNJAJWMDQTLQC-UHFFFAOYSA-N
MDL Number	MFCD00041032
Molecular Formula	C8H13NS
Molecular Weight	155.2605
SMILES	S=C=NC1CCCCCC1
Synonyms	Cycloheptyl Isothiocyanate, isothiocyanatocycloheptane, 81542-16-7, Cycloheptane,isothiocyanato-, Cycloheptylisothiocyanate, AC1MDT8C, AC1Q7EYB, SCHEMBL5970910, CTK5E8887, DTXSID00383643, ZINC4254038, MFCD00041032, AKOS003353252, FS-4611, TR-025625, FT-0641831, A840156, ZINC04254038, CID2795376,

Complexity	130
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	155.077g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	155.259g/mol
Monoisotopic Mass	155.077g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	44.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.9

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