Name: Name:Carbamic acid, (4-amino-4-thioxobutyl)-, 1,1-dimethylethyl ester (9CI)
Brand: Angene
SKU: AG00ALAX
Rating: 90 (10 reviews)

Carbamic acid, (4-amino-4-thioxobutyl)-, 1,1-dimethylethyl ester (9CI)

CAS No.:

156642-19-2

Catalog Number:

AG00ALAX

Molecular Formula:

C9H18N2O2S

Molecular Weight:

218.3164

Catalog Number:

AG00ALAX

Chemical Name:

Carbamic acid, (4-amino-4-thioxobutyl)-, 1,1-dimethylethyl ester (9CI)

CAS Number:

156642-19-2

Molecular Formula:

C9H18N2O2S

Molecular Weight:

218.3164

MDL Number:

MFCD16833085

IUPAC Name:

tert-butyl N-(4-amino-4-sulfanylidenebutyl)carbamate

InChI:

InChI=1S/C9H18N2O2S/c1-9(2,3)13-8(12)11-6-4-5-7(10)14/h4-6H2,1-3H3,(H2,10,14)(H,11,12)

InChI Key:

BQTYLUDDRSTBRV-UHFFFAOYSA-N

SMILES:

O=C(OC(C)(C)C)NCCCC(=S)N

Complexity:

211

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

218.109g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

218.315g/mol

Monoisotopic Mass:

218.109g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

96.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7