tert-butyl (2S)-2-carbamothioylpyrrolidine-1-carboxylate

tert-butyl (2S)-2-carbamothioylpyrrolidine-1-carboxylate

CAS: 101410-18-8

Formula: C10H18N2O2S

SMILES: CC(C)(C)OC(=O)N1CCC[C@H]1C(N)=S

IUPAC: 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

Composition: C (52.15%), H (7.88%), N (12.16%), O (13.89%), S (13.92%)

Molar Mass: 230.33

Atom Count: 33

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	230.108899002
Formal Charge	0
FSP3	0.8
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	KPAOKCBKJXBXNI-ZETCQYMHSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.87
Topological Polar Surface Area	55.56
Polarizability	24.89
Ring Count	1
Rotatable Bond Count	3

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