CS-1005403
Montelukast Impurity 36
Manufacturer: ChemScene
CAS Number: 945948-91-4
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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
C₇H₁₁N₃S
Molecular Weight
169.25
Synonyms
None
SMILES
N#CCC1(CSC(=N)N)CC1
Tpsa
73.66
Logp
1.30695
H Acceptors
3
H Donors
2
Rotatable Bonds
3
SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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: C₇H₁₁N₃S
Molecular Weight: 169.25
Synonyms: None
SMILES: N#CCC1(CSC(=N)N)CC1
Tpsa: 73.66
Logp: 1.30695
H Acceptors: 3
H Donors: 2
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:
C₇H₁₁N₃S
Molecular Weight:
169.25
Synonyms:
None
SMILES:
N#CCC1(CSC(=N)N)CC1
Tpsa:
73.66
Logp:
1.30695
H Acceptors:
3
H Donors:
2
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: C₁₄H₂₀BrNO₃
Molecular Weight: 330.22
Synonyms: None
SMILES: [Br-].O=C(OC1CC[N+](C)(C)C1)C(O)C=2C=CC=CC2
Tpsa: 46.53
Logp: -1.8841
H Acceptors: 3
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:
C₁₄H₂₀BrNO₃
Molecular Weight:
330.22
Synonyms:
None
SMILES:
[Br-].O=C(OC1CC[N+](C)(C)C1)C(O)C=2C=CC=CC2
Tpsa:
46.53
Logp:
-1.8841
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
3
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₃N₅O₅S₂
Molecular Weight: 395.41
Synonyms: None
SMILES: O=C1N2[C@@]([C@@H]1NC(/C(=N\O)/C3=CSC(N)=N3)=O)(SCC4=C2C(=O)OC4C)[H]
Tpsa: 147.21
Logp: -0.4971
H Acceptors: 10
H Donors: 3
Rotatable Bonds: 3
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₃N₅O₅S₂
Molecular Weight:
395.41
Synonyms:
None
SMILES:
O=C1N2[C@@]([C@@H]1NC(/C(=N\O)/C3=CSC(N)=N3)=O)(SCC4=C2C(=O)OC4C)[H]
Tpsa:
147.21
Logp:
-0.4971
H Acceptors:
10
H Donors:
3
Rotatable Bonds:
3
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₉H₂₇N₂O₁₀P
Molecular Weight: 594.51
Synonyms: None
SMILES: C(OCC1=CC=C(N(=O)=O)C=C1)(=O)C=2N3[C@@]([C@]([C@@H](C)O)(C3=O)[H])([C@@H](C)C2OP(OC4=CC=CC=C4)(OC5=CC=CC=C5)=O)[H]
Tpsa: 154.74
Logp: 4.9898
H Acceptors: 10
H Donors: 1
Rotatable Bonds: 11
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₉H₂₇N₂O₁₀P
Molecular Weight:
594.51
Synonyms:
None
SMILES:
C(OCC1=CC=C(N(=O)=O)C=C1)(=O)C=2N3[C@@]([C@]([C@@H](C)O)(C3=O)[H])([C@@H](C)C2OP(OC4=CC=CC=C4)(OC5=CC=CC=C5)=O)[H]
Tpsa:
154.74
Logp:
4.9898
H Acceptors:
10
H Donors:
1
Rotatable Bonds:
11