S-Trityl-3-Mercaptopropionic Acid

CAT: 0127-OR1015084-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-OR1015084-01Size:25 g

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CAS Number

27144-18-9

MDL Number

MFCD00237291

Purity

98%

Smiles

O=C(O)CCSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

Chemical Information

3-[(Triphenylmethyl)sulfanyl]propanoic acid

CAS Number	27144-18-9
PubChem CID	262767
IUPAC Name	3-tritylsulfanylpropanoic acid
Molecular Formula	C22H20O2S
Molecular Weight	348.5
XLogP	5
Topological Polar Surface Area	62.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Heavy Atom Count	25
Formal Charge	0
Complexity	359

SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCCC(=O)O

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)

InChIKey

AECGEIVNZGQBJT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 27144-18-9

CID: 262767

Formula: C22H20O2S

MW: 348.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	348.5
XLogP3	5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Exact Mass	348.11840105
Monoisotopic Mass	348.11840105
Topological Polar Surface Area	62.6 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	359
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR52782-01	3-Mercaptopropionic acid
OR1000011	2-Mercaptopropionic acid
OR53186	(S) -Trityl-2-amino-3-hydroxypropionic acid triethyl ammonium salt
BUP13869-01	S-trityl-L-Cysteine
OR1007786-01	(+) -S-Trityl-L-cysteine
OR924095	(S) -Fmoc-2-amino-5- (trityl-carbamoyl) pentanoic acid
OR53086-01	Boc-S-Trityl-L-Homocysteine
OR960379-01	(S) -2-Acetamido-3- (1-trityl-1H-imidazol-4-yl) propanoic acid
OR471635-01	N-Acetyl-S-trityl-L-cysteine
OR1028214-01	(S) -3-Hydroxybutyric Acid

Catalog	Name
MBS405212-01	S-Trityl-Beta-Mercaptopropionic Acid
289300-01	S-Acetamidomethyl-3-mercaptopropionic acid
SAM-5510-PI-01	S-Acm-ß-Mercaptopropionic Acid
21502-22	3-Mercaptopropionic Acid
913002	3‐MERCAPTOPROPIONIC ACID
MBS405273-01	S-Acm-Beta-Mercaptopropionic Acid
241726-01	S-Acetamidomethyl-3-mercaptopropionic acid ≥97% (HPLC)
HY-W032375S-01	3-Mercaptopropionic acid-d4
M03900	3-Mercaptopropionic acid 99%
sc-285472A	DL-S-Acetyl-2-benzyl-3-mercaptopropionic acid