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82360-11-0

82360-11-0 | Carbamothioic acid, (2-methylpropyl)-, O-ethyl ester

CAS No: 82360-11-0 Catalog No: AG005411 MDL No:

Product Description

Catalog Number:
AG005411
Chemical Name:
Carbamothioic acid, (2-methylpropyl)-, O-ethyl ester
CAS Number:
82360-11-0
Molecular Formula:
C7H15NOS
Molecular Weight:
161.2651
IUPAC Name:
O-ethyl N-(2-methylpropyl)carbamothioate
InChI:
InChI=1S/C7H15NOS/c1-4-9-7(10)8-5-6(2)3/h6H,4-5H2,1-3H3,(H,8,10)
InChI Key:
ULAMWDDQCMTBEH-UHFFFAOYSA-N
SMILES:
CCOC(=S)NCC(C)C

Properties

Complexity:
104  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.087g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
161.263g/mol
Monoisotopic Mass:
161.087g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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