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About This Item
Empirical Formula (Hill Notation):
C10H11NS2
CAS Number:
Molecular Weight:
209.33
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352005
MDL number:
Quality Segment
assay
≥97.0%
optical activity
[α]20/D +122±5°, c = 1% in chloroform
optical purity
enantiomeric ratio: ≥99:1 (LC)
manufacturer/tradename
ECACC
functional group
phenyl, thioether
SMILES string
S=C1N[C@@H](CS1)Cc2ccccc2
InChI
1S/C10H11NS2/c12-10-11-9(7-13-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12)/t9-/m1/s1
InChI key
SLDUGQISGRPGAW-SECBINFHSA-N
Storage Class
11 - Combustible Solids
WGK
WGK 3
Flash Point (°F)
Not applicable
Flash Point (°C)
Not applicable
PPE (personal protective equipment)
Eyeshields, Gloves, type N95 (US)
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