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2 2'-Dimethylthiocarbanilide

CAT: 0286-D45560Size: 500 gDry Ice: NoHazardous: No
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CAT#:0286-D45560Size:500 g
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CAS Number
137-97-3
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00025922
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled.
DOT Name
Not D.O.T.-Regulated
Precautions
P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

1,3-Bis(o-tolyl)thiourea
CAS Number137-97-3
PubChem CID688028
IUPAC Name1,3-bis(2-methylphenyl)thiourea
Molecular FormulaC15H16N2S
Molecular Weight256.4
XLogP3.8
Topological Polar Surface Area56.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity254
SMILES
CC1=CC=CC=C1NC(=S)NC2=CC=CC=C2C
InChI
InChI=1S/C15H16N2S/c1-11-7-3-5-9-13(11)16-15(18)17-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H2,16,17,18)
InChIKey
KWPNNZKRAQDVPZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3-Bis(o-tolyl)thiourea
CAS: 137-97-3
CID: 688028
Formula: C15H16N2S
MW: 256.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight256.4
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass256.10341969
Monoisotopic Mass256.10341969
Topological Polar Surface Area56.2 Ų
Heavy Atom Count18
Formal Charge0
Complexity254
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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