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14549-43-0

14549-43-0 | Carbamodithioic acid, N-phenyl-, propyl ester

CAS No: 14549-43-0 Catalog No: AG001D3T MDL No:

Product Description

Catalog Number:
AG001D3T
Chemical Name:
Carbamodithioic acid, N-phenyl-, propyl ester
CAS Number:
14549-43-0
Molecular Formula:
C10H13NS2
Molecular Weight:
211.3469
IUPAC Name:
propyl N-phenylcarbamodithioate
InChI:
InChI=1S/C10H13NS2/c1-2-8-13-10(12)11-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,11,12)
InChI Key:
LHKTWLDNFGNIQS-UHFFFAOYSA-N
SMILES:
CCCSC(=S)Nc1ccccc1

Properties

Complexity:
153  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.049g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
211.341g/mol
Monoisotopic Mass:
211.049g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

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