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AG002SJL

Name: Benzene, (3-isothiocyanatopropyl)-
Brand: Angene Chemical
SKU: AG002SJL

2627-27-2 | Benzene, (3-isothiocyanatopropyl)-

Chemical structure of Benzene, (3-isothiocyanatopropyl)-, CAS 2627-27-2

AG002SJL

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CAS Number	2627-27-2
Catalog Number	AG002SJL(AGN-PC-0JLPLV)
Chemical Name	Benzene, (3-isothiocyanatopropyl)-
EC Number	220-094-9
IUPAC Name	3-isothiocyanatopropylbenzene
InChI	InChI=1S/C10H11NS/c12-9-11-8-4-7-10-5-2-1-3-6-10/h1-3,5-6H,4,7-8H2
InChI Key	GRUOGLPIAPZLHJ-UHFFFAOYSA-N
MDL Number	MFCD00041134
Molecular Formula	C10H11NS
Molecular Weight	177.2660
SMILES	C1(CCCN=C=S)=CC=CC=C1
UNII	1S20IA5GGO
Synonyms	3-phenylpropyl isothiocyanate, isothiocyanic acid 3-phenylpropyl ester, PPITC, 3-Phenylpropyl isothiocyanate, (3-Isothiocyanatopropyl)benzene, 2627-27-2, Benzene, (3-isothiocyanatopropyl)-, Phenylpropyl isothiocyanate, PPITC, UNII-1S20IA5GGO, CCRIS 3147, EINECS 220-094-9, 3-Phenylpropyl isothiocynate, 1S20IA5GGO, CHEMBL54380, C10H11NS, 1-Isothiocyanato-3-phenylpropane, Benzene,(3-isothiocyanatopropyl)-, GRUOGLPIAPZLHJ-UHFFFAOYSA-N, MFCD00041134, isothiocyanic acid 3-phenylpropyl ester, ACMC-20amyp, AC1L2PKV, AC1Q7EXE, AC1Q7EYO, 3phenylpropylisothiocyanate, 3-phenylpropanisothiocyanate, 3-phenylpropylisothiocyanate, 3-isothiocyanatopropylbenzene, SCHEMBL1457110, phenylpropyl isothiocyanate, 3-, DTXSID1040241, (3-isothiocyanatopropyl)-Benzene, CTK4F7539, (3-Isothiocyanatopropyl)benzene #, ZINC1841131, 8721AD, BDBM50073716, (3-Isothiocyanatopropyl)benzene, 9CI, AKOS000101074, ACM2627272, MCULE-2077545859, Isothiocyanic acid, 3-phenylpropyl ester, BBV-32035447, BP-11162, CJ-29977, LS-174137, TR-030594, FT-0627518, ST50825104, I09-2511, J-016359, KST-1A3342, C10-H11-N-S, CID75815, AR-1A4215, 27106-14-5,

Complexity	155
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	4
Topological Polar Surface Area	44.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.9

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

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Reviewed by:Jessie

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Angene International Limited

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