CS-0074588
4-(2-Sulfanylidene-2,3-dihydro-1H-1,3-benzodiazol-1-yl)butanoic acid
Manufacturer: ChemScene
CAS Number: 1459280-12-6
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Purity
97%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₁H₁₂N₂O₂S
Molecular Weight
236.29
Synonyms
4-(2-sulfanyl-1H-benzimidazol-1-yl)butanoic acid
SMILES
S=C1N(CCCC(O)=O)C2=CC=CC=C2N1
Tpsa
58.02
Logp
2.56369
H Acceptors
3
H Donors
2
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: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₂N₂O₂S
Molecular Weight: 236.29
Synonyms: 4-(2-sulfanyl-1H-benzimidazol-1-yl)butanoic acid
SMILES: S=C1N(CCCC(O)=O)C2=CC=CC=C2N1
Tpsa: 58.02
Logp: 2.56369
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 4
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₂N₂O₂S
Molecular Weight:
236.29
Synonyms:
4-(2-sulfanyl-1H-benzimidazol-1-yl)butanoic acid
SMILES:
S=C1N(CCCC(O)=O)C2=CC=CC=C2N1
Tpsa:
58.02
Logp:
2.56369
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
4
Purity: 97%
MDL No: MFCD00522516
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₉N₅
Molecular Weight: 175.19
Synonyms: 3.5-Diamino-1-phenyl-1.2.4-triazol
SMILES: NC1=NC(N)=NN1C2=CC=CC=C2
Tpsa: 82.75
Logp: 0.4317
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 1
Purity:
97%
MDL No:
MFCD00522516
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₉N₅
Molecular Weight:
175.19
Synonyms:
3.5-Diamino-1-phenyl-1.2.4-triazol
SMILES:
NC1=NC(N)=NN1C2=CC=CC=C2
Tpsa:
82.75
Logp:
0.4317
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
1
Purity: 97%
MDL No: MFCD00208131
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₃NO₃S
Molecular Weight: 239.29
Synonyms: 2,5-dimethyl-1,1-dioxo-2,3-dihydro-1$l^{6},5-benzothiazepin-4-one
SMILES: O=S(C(C=CC=C1)=C1N(C2=O)C)(C(C)C2)=O
Tpsa: 54.45
Logp: 1.2153
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 0
Purity:
97%
MDL No:
MFCD00208131
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₃NO₃S
Molecular Weight:
239.29
Synonyms:
2,5-dimethyl-1,1-dioxo-2,3-dihydro-1$l^{6},5-benzothiazepin-4-one
SMILES:
O=S(C(C=CC=C1)=C1N(C2=O)C)(C(C)C2)=O
Tpsa:
54.45
Logp:
1.2153
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
0
Purity: 97%
MDL No: MFCD16691287
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₃N₃
Molecular Weight: 163.22
Synonyms: None
SMILES: CC1=CC(NC)=NC(C2CC2)=N1
Tpsa: 37.81
Logp: 1.70412
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 2
Purity:
97%
MDL No:
MFCD16691287
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₃N₃
Molecular Weight:
163.22
Synonyms:
None
SMILES:
CC1=CC(NC)=NC(C2CC2)=N1
Tpsa:
37.81
Logp:
1.70412
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2