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20267-74-7

20267-74-7 | Carbamimidothioic acid, pentyl ester

CAS No: 20267-74-7 Catalog No: AG0028D1 MDL No:MFCD19203661

Product Description

Catalog Number:
AG0028D1
Chemical Name:
Carbamimidothioic acid, pentyl ester
CAS Number:
20267-74-7
Molecular Formula:
C6H14N2S
Molecular Weight:
146.2538
MDL Number:
MFCD19203661
IUPAC Name:
pentyl carbamimidothioate
InChI:
InChI=1S/C6H14N2S/c1-2-3-4-5-9-6(7)8/h2-5H2,1H3,(H3,7,8)
InChI Key:
HJLINEXLRZJOQU-UHFFFAOYSA-N
SMILES:
CCCCCSC(=N)N

Properties

Complexity:
83.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.088g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
146.252g/mol
Monoisotopic Mass:
146.088g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

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