CS-0885992
2-(Bis(methylthio)methylene)cyclohexane-1,3-dione
Manufacturer: ChemScene
CAS Number: 204324-42-5
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₉H₁₂O₂S₂
Molecular Weight
216.32
Synonyms
None
SMILES
O=C(CCCC/1=O)C1=C(SC)\SC
Tpsa
34.14
Logp
2.2461
H Acceptors
4
H Donors
0
Rotatable Bonds
2
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SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₂O₂S₂
Molecular Weight: 216.32
Synonyms: None
SMILES: O=C(CCCC/1=O)C1=C(SC)\SC
Tpsa: 34.14
Logp: 2.2461
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₂O₂S₂
Molecular Weight:
216.32
Synonyms:
None
SMILES:
O=C(CCCC/1=O)C1=C(SC)\SC
Tpsa:
34.14
Logp:
2.2461
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
2
Purity: 98%
MDL No: MFCD02094370
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₃H₂₃NO₃S
Molecular Weight: 393.50
Synonyms: None
SMILES: N[C@H](CSC(C1=CC=CC=C1)(C2=CC=C(OC)C=C2)C3=CC=CC=C3)C(O)=O
Tpsa: 72.55
Logp: 4.1322
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 8
Purity:
98%
MDL No:
MFCD02094370
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₃H₂₃NO₃S
Molecular Weight:
393.50
Synonyms:
None
SMILES:
N[C@H](CSC(C1=CC=CC=C1)(C2=CC=C(OC)C=C2)C3=CC=CC=C3)C(O)=O
Tpsa:
72.55
Logp:
4.1322
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₁N₃OS
Molecular Weight: 209.27
Synonyms: None
SMILES: O=C1C2=C(N=C(N)N=C2SC)CCC1
Tpsa: 68.87
Logp: 1.2997
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₁N₃OS
Molecular Weight:
209.27
Synonyms:
None
SMILES:
O=C1C2=C(N=C(N)N=C2SC)CCC1
Tpsa:
68.87
Logp:
1.2997
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₉NO₂
Molecular Weight: 163.17
Synonyms: None
SMILES: OC(/C=C/C1=CC=C(C=C1)N)=O
Tpsa: 63.32
Logp: 1.3666
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₉NO₂
Molecular Weight:
163.17
Synonyms:
None
SMILES:
OC(/C=C/C1=CC=C(C=C1)N)=O
Tpsa:
63.32
Logp:
1.3666
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
2