AG0037W7

19362-77-7 | 4,4'-Thiodibenzenethiol

AG0037W7

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CAS Number	19362-77-7
Catalog Number	AG0037W7(AGN-PC-0JTWN5)
Chemical Name	4,4'-Thiodibenzenethiol
IUPAC Name	4-(4-sulfanylphenyl)sulfanylbenzenethiol
InChI	InChI=1S/C12H10S3/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,13-14H
InChI Key	JLLMOYPIVVKFHY-UHFFFAOYSA-N
MDL Number	MFCD00142119
Molecular Formula	C12H10S3
Molecular Weight	250.4028
SMILES	SC1=CC=C(SC2=CC=C(S)C=C2)C=C1
Synonyms	19362-77-7, 4,4'-Thiobisbenzenethiol, 4,4'-Thiodibenzenethiol, 4,4-Thiobisbenzenethiol, 4-(4-sulfanylphenyl)sulfanylbenzenethiol, 4,4-thiodibenzenethiol, Benzenethiol,4,4'-thiobis-, JLLMOYPIVVKFHY-UHFFFAOYSA-N, 4-[(4-sulfanylphenyl)sulfanyl]benzene-1-thiol, 4-(4-sulfanylphenylthio)benzene-1-thiol, AC1LDJ7K, G00026-Watson-Int, ACMC-1C9HF, 4,4'-Thiobis(benzenethiol), SCHEMBL179817, Bis(4-mercaptophenyl) Sulfide, Benzenethiol, 4,4'-thiobis-, Jsp003970, 4,4'-Thio-bis-(benzenethiol), CTK4E1300, JLLMOYPIVVKFHY-UHFFFAOYSA-, KS-00000ZMZ, DTXSID50347255, 4,4'-Thiobisbenzenethiol, 98%, ZINC4975401, ANW-23606, MFCD00142119, SBB058649, AKOS009031447, MCULE-2279391710, NE30669, RP28909, RTR-008989, VZ27543, 4-[(4-mercaptophenyl)thio]benzenethiol, AC-16500, BC210437, Q152, DB-044831, TL8006841, TR-008989, FT-0637837, ST51036731, 362T777, 4,4 inverted exclamation marka-Thiobisbenzenethiol, A813655, 4-[(4-Sulfanylphenyl)sulfanyl]phenyl hydrosulfide #, I01-3357, Q-200417, InChI=1/C12H10S3/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,13-14H, 4,4/'-Thiobisbenzenethiol, 4,4-Pentamethylene-2-pyrrolidinone, CID619483, T1427, 4-[(4-Sulfanylphenyl)sulfanyl]phenyl hydrosulfide,

Complexity	159
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	249.994g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	250.392g/mol
Monoisotopic Mass	249.994g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	27.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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