AG00I55C

27144-18-9 | Propanoic acid, 3-[(triphenylmethyl)thio]-

AG00I55C

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CAS Number	27144-18-9
Catalog Number	AG00I55C(AGN-PC-0JNXIB)
Chemical Name	Propanoic acid, 3-[(triphenylmethyl)thio]-
IUPAC Name	3-tritylsulfanylpropanoic acid
InChI	InChI=1S/C22H20O2S/c23-21(24)16-17-25-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2,(H,23,24)
InChI Key	AECGEIVNZGQBJT-UHFFFAOYSA-N
MDL Number	MFCD00237291
Molecular Formula	C22H20O2S
Molecular Weight	348.4580
NSC Number	96707
SMILES	O=C(O)CCSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
Synonyms	27144-18-9, 3-(tritylthio)propanoic acid, S-Trityl-3-mercaptopropionic acid, 3-(Tritylthio)propionic acid, 3-Tritylsulfanylpropionic acid, 3-tritylsulfanyl-propionic acid, 3-tritylsulfanylpropanoic acid, Propanoic acid, 3-[(triphenylmethyl)thio]-, 3-(tritylmercapto)propionic acid, s-trityl-beta-mercaptopropionic acid, MFCD00237291, 3-[(triphenylmethyl)sulfanyl]propanoic acid, 3-(tritylsulfanyl)propanoic acid, mpa(trt)-oh, NSC96707, PubChem12845, ACMC-1CMZ4, AC1Q5WG6, SCHEMBL34785, KSC489O4P, 3-Tritylmercapto-Propionicacid, 3-(tritylthio) propanoic acid, 3-tritylmercapto propionic acid, 3-tritylmercapto-propionic acid, CHEMBL409296, BDBM23806, C22H20O2S, CTK3I9747, DTXSID50294452, AECGEIVNZGQBJT-UHFFFAOYSA-N, AC1L6876, ZINC4290271, 3-(triphenylmethylthio)propanoic acid, ANW-26139, NSC-96707, AKOS015839063, MCULE-2217571720, RTR-031749, TRA0035215, KS-00000J84, Triphenylmethyl-containing compound, 35, AJ-50316, AK-81298, AS-19320, SC-24974, SY063736, AB0033374, DB-028584, TR-031749, 4CH-021590, FT-0696221, ST24041698, ST50997125, X6908, MFCD00237291 (97%), 3-(Tritylthio)propionic acid, >=97.0% (T), K-6939, J-016678, I14-18684, Mpa(Trt), AR-1E8096, CID262767, CT-319, ACN-049846, A7060, S-Trityl-3-mercaptopropionic acid, 97% 1g, 3-(Triphenylmethylthio)propionic acid; 3-(Tritylthio)propanoic acid, 108-52-1, 2730-81-6,

Complexity	359
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	348.118g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	348.46g/mol
Monoisotopic Mass	348.118g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	62.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335-H413
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number