AG003PVQ

Name: Dodecyl isothiocyanate
Brand: Angene Chemical
SKU: AG003PVQ

1072-32-8 | Dodecyl isothiocyanate

AG003PVQ

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CAS Number	1072-32-8
Catalog Number	AG003PVQ(AGN-PC-0JL6ZT)
Chemical Name	Dodecyl isothiocyanate
IUPAC Name	1-isothiocyanatododecane
InChI	InChI=1S/C13H25NS/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15/h2-12H2,1H3
InChI Key	LPVQVNLMFKGGCH-UHFFFAOYSA-N
MDL Number	MFCD00041121
Molecular Formula	C13H25NS
Molecular Weight	227.4093
SMILES	CCCCCCCCCCCCN=C=S
UNII	572250J55E
Synonyms	Dodecyl isothiocyanate, 1072-32-8, 1-Dodecyl isothiocyanate, 1-Isothiocyanatododecane, N-Dodecyl Isothiocyanate, UNII-572250J55E, Dodecane, 1-isothiocyanato-, Isothiocyanic Acid Dodecyl Ester, dodecanisothiocyanate, MFCD00041121, 572250J55E, CCRIS 7537, dodecylisothiocyanate, Lauryl Isothiocyanate, n-dodecylisothiocyanate, Dodecyl isothiocyanate,, ACMC-1BRGM, 1-Isothiocyanatododecane #, Dodecane,1-isothiocyanato-, AC1L24NW, SCHEMBL331440, AC1Q2W65, C13H25NS, CTK4A5088, DTXSID30147937, LPVQVNLMFKGGCH-UHFFFAOYSA-N, 8396AC, SBB061301, ZINC95698150, AKOS003354683, MCULE-5639549655, TR-001407, FT-0627521, ST51047330, A801612, I09-2469, J-001742, CID66118,

Complexity	162
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	227.171g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	227.41g/mol
Monoisotopic Mass	227.171g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	44.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	7.2

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