Home Other Building Blocks 4-[(diethylcarbamothioyl)sulfanyl]butan-1-ol

4-[(diethylcarbamothioyl)sulfanyl]butan-1-ol

CAS No.:
98956-81-1
Catalog Number:
AG01B574
Molecular Formula:
C9H19NOS2
Molecular Weight:
221.3833
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Product Description
Catalog Number:
AG01B574
Chemical Name:
4-[(diethylcarbamothioyl)sulfanyl]butan-1-ol
CAS Number:
98956-81-1
Molecular Formula:
C9H19NOS2
Molecular Weight:
221.3833
MDL Number:
MFCD30181014
IUPAC Name:
4-hydroxybutyl N,N-diethylcarbamodithioate
InChI:
InChI=1S/C9H19NOS2/c1-3-10(4-2)9(12)13-8-6-5-7-11/h11H,3-8H2,1-2H3
InChI Key:
XBXKKIZTSFPXPO-UHFFFAOYSA-N
SMILES:
OCCCCSC(=S)N(CC)CC
Properties
Complexity:
138  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.091g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
221.377g/mol
Monoisotopic Mass:
221.091g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties