CS-0764475
Methyl 3-[[4-(Methylphenylamino)-3,6-dioxo-1,4-cyclohexadien-1-yl]thio]-propanoate
Manufacturer: ChemScene
CAS Number: 434343-40-5
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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
C₁₇H₁₇NO₄S
Molecular Weight
331.39
Synonyms
None
SMILES
COC(=O)CCSC1=CC(=O)C(=CC1=O)N(C)C1=CC=CC=C1
Tpsa
63.68
Logp
2.3387
H Acceptors
6
H Donors
0
Rotatable Bonds
6
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: C₁₇H₁₇NO₄S
Molecular Weight: 331.39
Synonyms: None
SMILES: COC(=O)CCSC1=CC(=O)C(=CC1=O)N(C)C1=CC=CC=C1
Tpsa: 63.68
Logp: 2.3387
H Acceptors: 6
H Donors: 0
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₁₇NO₄S
Molecular Weight:
331.39
Synonyms:
None
SMILES:
COC(=O)CCSC1=CC(=O)C(=CC1=O)N(C)C1=CC=CC=C1
Tpsa:
63.68
Logp:
2.3387
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₃N₅
Molecular Weight: 251.29
Synonyms: None
SMILES: N\N=C(/CN1N=NC2=CC=CC=C12)C1=CC=CC=C1
Tpsa: 69.09
Logp: 1.7943
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₃N₅
Molecular Weight:
251.29
Synonyms:
None
SMILES:
N\N=C(/CN1N=NC2=CC=CC=C12)C1=CC=CC=C1
Tpsa:
69.09
Logp:
1.7943
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₁₉NO₂S
Molecular Weight: 313.41
Synonyms: None
SMILES: O=C1C=C(SC2CCCCC2)C(=O)C=C1NC1=CC=CC=C1
Tpsa: 46.17
Logp: 4.084
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₁₉NO₂S
Molecular Weight:
313.41
Synonyms:
None
SMILES:
O=C1C=C(SC2CCCCC2)C(=O)C=C1NC1=CC=CC=C1
Tpsa:
46.17
Logp:
4.084
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₉N₅S
Molecular Weight: 279.32
Synonyms: None
SMILES: S1N=NC(=C1N1N=NC2=CC=CC=C12)C1=CC=CC=C1
Tpsa: 56.49
Logp: 2.939
H Acceptors: 6
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:
C₁₄H₉N₅S
Molecular Weight:
279.32
Synonyms:
None
SMILES:
S1N=NC(=C1N1N=NC2=CC=CC=C12)C1=CC=CC=C1
Tpsa:
56.49
Logp:
2.939
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
2