Home Other Building Blocks 1-N-Boc-2-methyl-isothiourea

1-N-Boc-2-methyl-isothiourea

CAS No.:
173998-77-1
Catalog Number:
AG001ZD0
Molecular Formula:
C7H14N2O2S
Molecular Weight:
190.2633
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
97%
1 week
United States
$70
- +
250mg
97%
1 week
United States
$99
- +
Product Description
Catalog Number:
AG001ZD0
Chemical Name:
1-N-Boc-2-methyl-isothiourea
CAS Number:
173998-77-1
Molecular Formula:
C7H14N2O2S
Molecular Weight:
190.2633
MDL Number:
MFCD11519419
IUPAC Name:
tert-butyl N-[amino(methylsulfanyl)methylidene]carbamate
InChI:
InChI=1S/C7H14N2O2S/c1-7(2,3)11-6(10)9-5(8)12-4/h1-4H3,(H2,8,9,10)
InChI Key:
QNNVPHNPWRBCKH-UHFFFAOYSA-N
SMILES:
CSC(=N)NC(=O)OC(C)(C)C
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.078g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
190.261g/mol
Monoisotopic Mass:
190.078g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
90A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.1  
Properties