Phenylthiohydantoin-proline

CAT: 0024-sc-488561Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-488561Size:100 mg

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CAS Number

4333-21-5

Chemical Information

Hexahydro-2-phenyl-3-thioxo-1H-pyrrolo(1,2-c)imidazol-1-one

CAS Number	4333-21-5
PubChem CID	100798
IUPAC Name	2-phenyl-3-sulfanylidene-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-1-one
Molecular Formula	C12H12N2OS
Molecular Weight	232.30
XLogP	2
Topological Polar Surface Area	55.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	16
Formal Charge	0
Complexity	325

SMILES

C1CC2C(=O)N(C(=S)N2C1)C3=CC=CC=C3

InChI

InChI=1S/C12H12N2OS/c15-11-10-7-4-8-13(10)12(16)14(11)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2

InChIKey

YNJJBMAKBUZCKN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4333-21-5

CID: 100798

Formula: C12H12N2OS

MW: 232.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	232.30
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	232.06703418
Monoisotopic Mass	232.06703418
Topological Polar Surface Area	55.6 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	325
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-487971	Phenylthiohydantoin-phenylalanine
sc-485416	Phenylthiohydantoin-norleucine
sc-487973	Phenylthiohydantoin-DELTA-threonine
sc-488562	Phenylthiohydantoin-arginine Hydrochloride
sc-487970	Phenylthiohydantoin-aspartic Acid
sc-489799	Phenylthiohydantoin- (Nepsilon-phenylthiocarbamyl) -lysine
sc-257401	DL-Proline
sc-255062	D-Proline
sc-255062D	D-Proline
sc-397196A	L-Proline

Catalog	Name
CAA01015	Phenylthiohydantoin-glycine
OR1078050	Phenylthiohydantoin-arginine Hydrochloride
OR1078395-01	Phenylthiohydantoin-DELTA-threonine
OR1078387-01	Phenylthiohydantoin-aspartic Acid
OR1078652-01	Phenylthiohydantoin- (Nepsilon-phenylthiocarbamyl) -lysine
MBS3608038-01	proline
HY-N10004	Fructose-proline
FP02713-01	L-Proline
597849	Oleoyl proline
HY-130666	Chlorambucyl-proline