Name: Name:tert-butyl N-[(4-carbamothioylphenyl)methyl]carbamate
Brand: Angene
SKU: AG019SHE
Rating: 90 (10 reviews)

tert-butyl N-[(4-carbamothioylphenyl)methyl]carbamate

CAS No.:

217313-80-9

Catalog Number:

AG019SHE

Molecular Formula:

C13H18N2O2S

Molecular Weight:

266.3592

Catalog Number:

AG019SHE

Chemical Name:

tert-butyl N-[(4-carbamothioylphenyl)methyl]carbamate

CAS Number:

217313-80-9

Molecular Formula:

C13H18N2O2S

Molecular Weight:

266.3592

MDL Number:

MFCD18003870

IUPAC Name:

tert-butyl N-[(4-carbamothioylphenyl)methyl]carbamate

InChI:

InChI=1S/C13H18N2O2S/c1-13(2,3)17-12(16)15-8-9-4-6-10(7-5-9)11(14)18/h4-7H,8H2,1-3H3,(H2,14,18)(H,15,16)

InChI Key:

GIQIIACUQBSLKE-UHFFFAOYSA-N

SMILES:

O=C(OC(C)(C)C)NCc1ccc(cc1)C(=S)N

Complexity:

305

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

266.109g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

266.359g/mol

Monoisotopic Mass:

266.109g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

96.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9