AG00ECB2

6397-33-7 | 2-(Isopropylthio)aniline

AG00ECB2

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CAS Number	6397-33-7
Catalog Number	AG00ECB2(AGN-PC-00O8JH)
Chemical Name	2-(Isopropylthio)aniline
IUPAC Name	2-propan-2-ylsulfanylaniline
InChI	InChI=1S/C9H13NS/c1-7(2)11-9-6-4-3-5-8(9)10/h3-7H,10H2,1-2H3
InChI Key	BZPPEJDGWPFYAL-UHFFFAOYSA-N
MDL Number	MFCD08691961
Molecular Formula	C9H13NS
Molecular Weight	167.2712
SMILES	NC1=CC=CC=C1SC(C)C
Synonyms	2-(ISOPROPYLTHIO)ANILINE, 6397-33-7, 2-(propan-2-ylsulfanyl)aniline, 2-aminophenyl isopropyl sulphide, ACMC-209nji, 2-isopropylmercaptoaniline, 2-(isopropylthio) aniline, 2-(isopropylthio)benzenaMine, 2-propan-2-ylsulfanylaniline, SCHEMBL1014289, 2-(Isopropylthio)aniline x1hcl, CTK2A7672, KS-00001BBC, 2-(1-methylethylthio)benzenamine, DTXSID70551231, BZPPEJDGWPFYAL-UHFFFAOYSA-N, 2-[(Propan-2-yl)sulfanyl]aniline, BCP18377, 2-(ISOPROPYLSULFANYL)ANILINE, ANW-34780, BBL034974, KM0798, MFCD08691961, STL419385, ZINC12382830, AKOS000180483, MCULE-2894587577, RP23032, Benzenamine, 2-[(1-methylethyl)thio]-, AJ-62006, CJ-14017, SY123012, AB1009136, TX-016090, 4CH-004054, V7063, MFCD08691961 (95%), Z1428014097, null, C9H13NS,

Complexity	114
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	167.077g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	167.27g/mol
Monoisotopic Mass	167.077g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	51.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H225
Packing Group	Ⅲ
Precautionary statements	P210
Signal Words	danger
UN Code	UN 1993

Certificate of Analysis

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