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101410-18-8 | 1-Pyrrolidinecarboxylic acid, 2-(aminothioxomethyl)-, 1,1-dimethylethyl ester, (2S)-
CAS No: 101410-18-8 Catalog No: AG0004FF MDL No:MFCD06738835
Product Description
Catalog Number:
AG0004FF
Chemical Name:
1-Pyrrolidinecarboxylic acid, 2-(aminothioxomethyl)-, 1,1-dimethylethyl ester, (2S)-
CAS Number:
101410-18-8
Molecular Formula:
C10H18N2O2S
Molecular Weight:
230.3271
MDL Number:
MFCD06738835
IUPAC Name:
tert-butyl (2S)-2-carbamothioylpyrrolidine-1-carboxylate
InChI:
InChI=1S/C10H18N2O2S/c1-10(2,3)14-9(13)12-6-4-5-7(12)8(11)15/h7H,4-6H2,1-3H3,(H2,11,15)/t7-/m0/s1
InChI Key:
KPAOKCBKJXBXNI-ZETCQYMHSA-N
SMILES:
NC(=S)[C@@H]1CCCN1C(=O)OC(C)(C)C
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
230.109g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.326g/mol
Monoisotopic Mass:
230.109g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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