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Home Other Building Blocks 1,3-Dibutyl-2-thiourea

1,3-Dibutyl-2-thiourea

CAS No.:
109-46-6
Catalog Number:
AG003DJ6
Molecular Formula:
C9H20N2S
Molecular Weight:
188.3335
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
50g
95%
In Stock USA
United States
$42
- +
250g
95%
In Stock USA
United States
$75
- +
Product Description
Catalog Number:
AG003DJ6
Chemical Name:
1,3-Dibutyl-2-thiourea
CAS Number:
109-46-6
Molecular Formula:
C9H20N2S
Molecular Weight:
188.3335
MDL Number:
MFCD00004926
IUPAC Name:
1,3-dibutylthiourea
InChI:
InChI=1S/C9H20N2S/c1-3-5-7-10-9(12)11-8-6-4-2/h3-8H2,1-2H3,(H2,10,11,12)
InChI Key:
KFFQABQEJATQAT-UHFFFAOYSA-N
SMILES:
CCCCNC(=S)NCCCC
EC Number:
203-674-6
UNII:
3154M2Q6GD
RTECS Number:
YS8400000
Properties
Complexity:
103  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.135g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
188.333g/mol
Monoisotopic Mass:
188.135g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
Title Journal
Sensitization to thiourea derivatives among Finnish patients with suspected contact dermatitis. Contact dermatitis 20100701
Simultaneous induction of non-canonical autophagy and apoptosis in cancer cells by ROS-dependent ERK and JNK activation. PloS one 20100101
Positive patch-test reactions to mixed dialkyl thioureas: cross-sectional data from the North American Contact Dermatitis Group, 1994 to 2004. Dermatitis : contact, atopic, occupational, drug 20080101
Allergic contact dermatitis from dibutylthiourea in a wet suit. Dermatitis : contact, atopic, occupational, drug 20040301
HPLC analysis of alkyl thioureas in an orthopaedic brace and patch testing with pure ethylbutylthiourea. Contact dermatitis 20040101
Properties