AG00DEIX

43156-48-5 | 5-Phenylthio-1,2-diaminobenzene

AG00DEIX

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CAS Number	43156-48-5
Catalog Number	AG00DEIX(AGN-PC-0KNW6O)
Chemical Name	5-Phenylthio-1,2-diaminobenzene
EC Number	256-122-1
IUPAC Name	4-phenylsulfanylbenzene-1,2-diamine
InChI	InChI=1S/C12H12N2S/c13-11-7-6-10(8-12(11)14)15-9-4-2-1-3-5-9/h1-8H,13-14H2
InChI Key	YLEPPBFOGUYOEI-UHFFFAOYSA-N
MDL Number	MFCD01073766
Molecular Formula	C12H12N2S
Molecular Weight	216.3021
SMILES	NC1=C(N)C=C(SC2=CC=CC=C2)C=C1
Synonyms	4-(Phenylthio)benzene-1,2-diamine, 43156-48-5, 5-phenylthio-1,2-diaminobenzene, 5-phenylthio-1,2-diamino benzene, 4-phenylsulfanylbenzene-1,2-diamine, EINECS 256-122-1, AC1MI2XT, SCHEMBL6366825, 1,2-diamino-4-phenylthiobenzene, CTK4I7102, DTXSID10195734, YLEPPBFOGUYOEI-UHFFFAOYSA-N, 4-(Phenylthio)-1,2-benzenediamine, 5970AB, ANW-63579, MFCD01073766, ZINC22002089, 1,2-Benzenediamine,4-(phenylthio)-, AKOS015967127, 1,2-Benzenediamine, 4-(phenylthio)-, ACM43156485, AJ-80172, AK-79045, BC220777, DS-17543, AB0072712, AX8013880, DB-051045, TC-152324, FT-0639836, C12H12N2S, C12-H12-N2-S, CID3016417,

Complexity	192
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	216.072g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	216.302g/mol
Monoisotopic Mass	216.072g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	77.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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