AG00BUWF

Name: 3-(Isothiocyanatomethyl)heptane
Brand: Angene Chemical
SKU: AG00BUWF

21663-56-9 | 3-(Isothiocyanatomethyl)heptane

AG00BUWF

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CAS Number	21663-56-9
Catalog Number	AG00BUWF(AGN-PC-00UWZC)
Chemical Name	3-(Isothiocyanatomethyl)heptane
IUPAC Name	3-(isothiocyanatomethyl)heptane
InChI	InChI=1S/C9H17NS/c1-3-5-6-9(4-2)7-10-8-11/h9H,3-7H2,1-2H3
InChI Key	ZYEYDQLSVHQXDC-UHFFFAOYSA-N
MDL Number	MFCD07366406
Molecular Formula	C9H17NS
Molecular Weight	171.3030
SMILES	CCCCC(CN=C=S)CC
Synonyms	3-(isothiocyanatomethyl)heptane, 21663-56-9, SCHEMBL331210, AC1Q2V99, CTK4E7445, DTXSID10585338, Heptane,3-(isothiocyanatomethyl)-, AKOS004114684, NE20696, EN300-14768, 3- HEPTANE,

Complexity	128
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	171.108g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	171.302g/mol
Monoisotopic Mass	171.108g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	44.4A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	4.7

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