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CAS 105107-84-4 manufacturers and suppliers on PharmaCompass

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(4S)-4-(Phenylthio)-L-proline Hydrochloride
Also known as: 105107-84-4, (4s)-4-(phenylthio)-l-proline hydrochloride, Cis-4-phenylthio-l-proline hcl, (2s,4s)-4-phenylsulfanylpyrrolidine-2-carboxylic acid;hydrochloride, Amy40642, (2s,4s)-4-(phenylthio)pyrrolidine-2-carboxylic acid hydrochloride
Molecular Formula
C11H14ClNO2S
Molecular Weight
259.75  g/mol
InChI Key
XXNAGGDFBCTLQA-IYPAPVHQSA-N

1 2D Structure

(4S)-4-(Phenylthio)-L-proline Hydrochloride

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S,4S)-4-phenylsulfanylpyrrolidine-2-carboxylic acid;hydrochloride
2.1.2 InChI
InChI=1S/C11H13NO2S.ClH/c13-11(14)10-6-9(7-12-10)15-8-4-2-1-3-5-8;/h1-5,9-10,12H,6-7H2,(H,13,14);1H/t9-,10-;/m0./s1
2.1.3 InChI Key
XXNAGGDFBCTLQA-IYPAPVHQSA-N
2.1.4 Canonical SMILES
C1C(CNC1C(=O)O)SC2=CC=CC=C2.Cl
2.1.5 Isomeric SMILES
C1[C@@H](CN[C@@H]1C(=O)O)SC2=CC=CC=C2.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 105107-84-4

2. (4s)-4-(phenylthio)-l-proline Hydrochloride

3. Cis-4-phenylthio-l-proline Hcl

4. (2s,4s)-4-phenylsulfanylpyrrolidine-2-carboxylic Acid;hydrochloride

5. Amy40642

6. (2s,4s)-4-(phenylthio)pyrrolidine-2-carboxylic Acid Hydrochloride

7. Mfcd11109939

8. Akos016003348

9. Ac-2144

10. Ds-15496

11. Cs-0187341

12. F11899

13. 107p844

14. Q-101026

15. (2s,4s)-4-(phenylsulfanyl)-l-proline Hydrochloride

16. Cis-4-phenylthio-l-proline Hydrochloride (h-l-pro(4-sph)-oh.hcl)

2.3 Create Date
2010-07-26
3 Chemical and Physical Properties
Molecular Weight 259.75 g/mol
Molecular Formula C11H14ClNO2S
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass259.0433776 g/mol
Monoisotopic Mass259.0433776 g/mol
Topological Polar Surface Area74.6 Ų
Heavy Atom Count16
Formal Charge0
Complexity229
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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URL Supplier Web Content
105107-84-4
Shouyuan chemical (one of the leading chemicals supplier in China) specializes in manufacturing, supplyin...
Shouyuan chemical (one of the leading chemicals supplier in China) specializes in manufacturing, supplying, and custom synsthesis latest chemicals. Our products cover all kinds of range like pharmaceuticals, agrochemicals, electronic chemicals, surfactants and other specialty chemicals.
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