Home Aminos Carbamic acid, [2-[(aminothioxomethyl)amino]ethyl]-, 1,1-dimethylethyl ester

Carbamic acid, [2-[(aminothioxomethyl)amino]ethyl]-, 1,1-dimethylethyl ester

CAS No.:
331779-96-5
Catalog Number:
AG00CII6
Molecular Formula:
C8H17N3O2S
Molecular Weight:
219.3045
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Product Description
Catalog Number:
AG00CII6
Chemical Name:
Carbamic acid, [2-[(aminothioxomethyl)amino]ethyl]-, 1,1-dimethylethyl ester
CAS Number:
331779-96-5
Molecular Formula:
C8H17N3O2S
Molecular Weight:
219.3045
MDL Number:
MFCD18968118
IUPAC Name:
tert-butyl N-[2-(carbamothioylamino)ethyl]carbamate
InChI:
InChI=1S/C8H17N3O2S/c1-8(2,3)13-7(12)11-5-4-10-6(9)14/h4-5H2,1-3H3,(H,11,12)(H3,9,10,14)
InChI Key:
DOOZXVIPVZDJLE-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCCNC(=S)N
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.104g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
219.303g/mol
Monoisotopic Mass:
219.104g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties