AG00CRAK

Name: 1-Chloro-4-[(2-isothiocyanatoethyl)sulfanyl]benzene
Brand: Angene Chemical
SKU: AG00CRAK

38752-40-8 | 1-Chloro-4-[(2-isothiocyanatoethyl)sulfanyl]benzene

AG00CRAK

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CAS Number	38752-40-8
Catalog Number	AG00CRAK(AGN-PC-0RHAT6)
Chemical Name	1-Chloro-4-[(2-isothiocyanatoethyl)sulfanyl]benzene
IUPAC Name	1-chloro-4-(2-isothiocyanatoethylsulfanyl)benzene
InChI	InChI=1S/C9H8ClNS2/c10-8-1-3-9(4-2-8)13-6-5-11-7-12/h1-4H,5-6H2
InChI Key	YATNGQRBSUHSAB-UHFFFAOYSA-N
MDL Number	MFCD07366301
Molecular Formula	C9H8ClNS2
Molecular Weight	229.7495
SMILES	ClC1=CC=C(SCCN=C=S)C=C1
Synonyms	38752-40-8, 1-chloro-4-[(2-isothiocyanatoethyl)thio]benzene, 1-chloro-4-[(2-isothiocyanatoethyl)sulfanyl]benzene, AC1NLQTG, AC1Q3JYP, CTK4I0425, DTXSID90407125, ZINC4206849, NE25849, EN300-13662, 1-chloro-4-(2-isothiocyanatoethylsulfanyl)benzene, Benzene,1-chloro-4-[(2-isothiocyanatoethyl)thio]-, ZINC04206849, CID4962567,

Complexity	184
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	228.979g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	229.74g/mol
Monoisotopic Mass	228.979g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	69.8A^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