Name: Name:tert-butyl 4-(1-carbamothioylethyl)piperazine-1-carboxylate
Brand: Angene
SKU: AG01EIG2
Rating: 90 (10 reviews)

tert-butyl 4-(1-carbamothioylethyl)piperazine-1-carboxylate

CAS No.:

1339719-51-5

Catalog Number:

AG01EIG2

Molecular Formula:

C12H23N3O2S

Molecular Weight:

273.3949

Catalog Number:

AG01EIG2

Chemical Name:

tert-butyl 4-(1-carbamothioylethyl)piperazine-1-carboxylate

CAS Number:

1339719-51-5

Molecular Formula:

C12H23N3O2S

Molecular Weight:

273.3949

MDL Number:

MFCD18334806

IUPAC Name:

tert-butyl 4-(1-amino-1-sulfanylidenepropan-2-yl)piperazine-1-carboxylate

InChI:

InChI=1S/C12H23N3O2S/c1-9(10(13)18)14-5-7-15(8-6-14)11(16)17-12(2,3)4/h9H,5-8H2,1-4H3,(H2,13,18)

InChI Key:

UFABUBXXUVUTQR-UHFFFAOYSA-N

SMILES:

CC(C(=S)N)N1CCN(CC1)C(=O)OC(C)(C)C

Complexity:

320

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

273.151g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

273.395g/mol

Monoisotopic Mass:

273.151g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

90.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9