CS-0546440
5-((4-Bromobenzyl)thio)-4-cyclopropyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Manufacturer: ChemScene
CAS Number: 941052-59-1
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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
C₁₂H₁₂BrN₃OS
Molecular Weight
326.21
Synonyms
None
SMILES
C1CC1N2C(=O)NN=C2SCC3=CC=C(C=C3)Br
Tpsa
50.68
Logp
2.9611
H Acceptors
4
H Donors
1
Rotatable Bonds
4
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: C₁₂H₁₂BrN₃OS
Molecular Weight: 326.21
Synonyms: None
SMILES: C1CC1N2C(=O)NN=C2SCC3=CC=C(C=C3)Br
Tpsa: 50.68
Logp: 2.9611
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:
C₁₂H₁₂BrN₃OS
Molecular Weight:
326.21
Synonyms:
None
SMILES:
C1CC1N2C(=O)NN=C2SCC3=CC=C(C=C3)Br
Tpsa:
50.68
Logp:
2.9611
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: C₁₁H₁₂ClN₃S
Molecular Weight: 253.75
Synonyms: None
SMILES: CCN1CCC2=C(C1)SC3=C2C(=NC=N3)Cl
Tpsa: 29.02
Logp: 2.7227
H Acceptors: 4
H Donors: 0
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:
C₁₁H₁₂ClN₃S
Molecular Weight:
253.75
Synonyms:
None
SMILES:
CCN1CCC2=C(C1)SC3=C2C(=NC=N3)Cl
Tpsa:
29.02
Logp:
2.7227
H Acceptors:
4
H Donors:
0
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: C₁₁H₁₀FN₃O
Molecular Weight: 219.22
Synonyms: (5Z)-5-[(2-fluorophenyl)methylidene]-2-imino-1-methylimidazolidin-4-one
SMILES: O=C1N=C(N)N(C1=CC=2C=CC=CC2F)C
Tpsa: 58.69
Logp: 0.9533
H Acceptors: 3
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:
C₁₁H₁₀FN₃O
Molecular Weight:
219.22
Synonyms:
(5Z)-5-[(2-fluorophenyl)methylidene]-2-imino-1-methylimidazolidin-4-one
SMILES:
O=C1N=C(N)N(C1=CC=2C=CC=CC2F)C
Tpsa:
58.69
Logp:
0.9533
H Acceptors:
3
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: C₁₈H₂₁NO₃S
Molecular Weight: 331.43
Synonyms: 4,6-dimethyl-3-(3-methylbenzenesulfonyl)-1-(2-methylprop-2-en-1-yl)-1,2-dihydropyridin-2-one
SMILES: CC1=CC(=CC=C1)S(=O)(=O)C2=C(C=C(N(C2=O)CC(=C)C)C)C
Tpsa: 56.14
Logp: 3.18246
H Acceptors: 4
H Donors: 0
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:
C₁₈H₂₁NO₃S
Molecular Weight:
331.43
Synonyms:
4,6-dimethyl-3-(3-methylbenzenesulfonyl)-1-(2-methylprop-2-en-1-yl)-1,2-dihydropyridin-2-one
SMILES:
CC1=CC(=CC=C1)S(=O)(=O)C2=C(C=C(N(C2=O)CC(=C)C)C)C
Tpsa:
56.14
Logp:
3.18246
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
4