AG00J6LF

Name: 1-Isothiocyanato-3-(propan-2-yl)benzene
Brand: Angene Chemical
SKU: AG00J6LF

611226-39-2 | 1-Isothiocyanato-3-(propan-2-yl)benzene

AG00J6LF

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CAS Number	611226-39-2
Catalog Number	AG00J6LF(AGN-PC-03JJDT)
Chemical Name	1-Isothiocyanato-3-(propan-2-yl)benzene
IUPAC Name	1-isothiocyanato-3-propan-2-ylbenzene
InChI	InChI=1S/C10H11NS/c1-8(2)9-4-3-5-10(6-9)11-7-12/h3-6,8H,1-2H3
InChI Key	DEJVUVMZSJGRSF-UHFFFAOYSA-N
MDL Number	MFCD11193565
Molecular Formula	C10H11NS
Molecular Weight	177.2660
SMILES	CC(C1=CC(N=C=S)=CC=C1)C
Synonyms	1-isopropyl-3-isothiocyanatobenzene, 1-isothiocyanato-3-(propan-2-yl)benzene, 611226-39-2, 3-isopropylbenzeneisothiocyanate, AC1Q1OGI, SCHEMBL2889331, CTK8A7623, ALBB-021417, MFCD11193565, ZINC20475653, AKOS009259370, 1-Isothiocyanato-3-(1-methylethyl)benzene, EN300-51444, Benzene, 1-isothiocyanato-3-(1-methylethyl)-, T1518,

Complexity	182
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	177.061g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	177.265g/mol
Monoisotopic Mass	177.061g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	44.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.4

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