CS-1047768
5-Bromo-3-ethyl-7-(hydroxymethyl)-4-thioxo-3,4-dihydroquinazolin-2(1H)-one
Manufacturer: ChemScene
CAS Number: 3031772-51-4
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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
C₁₁H₁₁BrN₂O₂S
Molecular Weight
315.19
Synonyms
None
SMILES
O=C(N1CC)NC2=C(C(Br)=CC(CO)=C2)C1=S
Tpsa
58.02
Logp
2.33379
H Acceptors
4
H Donors
2
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: C₁₁H₁₁BrN₂O₂S
Molecular Weight: 315.19
Synonyms: None
SMILES: O=C(N1CC)NC2=C(C(Br)=CC(CO)=C2)C1=S
Tpsa: 58.02
Logp: 2.33379
H Acceptors: 4
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:
C₁₁H₁₁BrN₂O₂S
Molecular Weight:
315.19
Synonyms:
None
SMILES:
O=C(N1CC)NC2=C(C(Br)=CC(CO)=C2)C1=S
Tpsa:
58.02
Logp:
2.33379
H Acceptors:
4
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: C₁₁H₁₁BrN₂O₂S
Molecular Weight: 315.19
Synonyms: None
SMILES: O=C(N1CC)NC2=C(C=C(Br)C(CO)=C2)C1=S
Tpsa: 58.02
Logp: 2.33379
H Acceptors: 4
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:
C₁₁H₁₁BrN₂O₂S
Molecular Weight:
315.19
Synonyms:
None
SMILES:
O=C(N1CC)NC2=C(C=C(Br)C(CO)=C2)C1=S
Tpsa:
58.02
Logp:
2.33379
H Acceptors:
4
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: C₈₀H₁₂₇N₁₀O₃₇P
Molecular Weight: 1851.88
Synonyms: None
SMILES: O=C(NCCOCCO[C@H]1[C@H](NC(C)=O)[C@@H](OC(C)=O)C(OC(C)=O)C(COC(C)=O)O1)CC[C@H](NC(CC[C@H](NC([C@@H]2CC[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)CC2)=O)C(NCCOCCO[C@H]3[C@H](NC(C)=O)[C@@H](OC(C)=O)C(OC(C)=O)C(COC(C)=O)O3)=O)=O)C(NCCOCCO[C@H]4[C@H](NC(C)=O)[C@@H](OC(C)=O)C(OC(C)=O)C(COC(C)=O)O4)=O
Tpsa: 598.06
Logp: -1.21572
H Acceptors: 39
H Donors: 8
Rotatable Bonds: 55
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈₀H₁₂₇N₁₀O₃₇P
Molecular Weight:
1851.88
Synonyms:
None
SMILES:
O=C(NCCOCCO[C@H]1[C@H](NC(C)=O)[C@@H](OC(C)=O)C(OC(C)=O)C(COC(C)=O)O1)CC[C@H](NC(CC[C@H](NC([C@@H]2CC[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)CC2)=O)C(NCCOCCO[C@H]3[C@H](NC(C)=O)[C@@H](OC(C)=O)C(OC(C)=O)C(COC(C)=O)O3)=O)=O)C(NCCOCCO[C@H]4[C@H](NC(C)=O)[C@@H](OC(C)=O)C(OC(C)=O)C(COC(C)=O)O4)=O
Tpsa:
598.06
Logp:
-1.21572
H Acceptors:
39
H Donors:
8
Rotatable Bonds:
55
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₂₁N₃O₁₀S
Molecular Weight: 483.45
Synonyms: None
SMILES: CC(O[C@@H]1[C@H](O[C@H](COS(=O)(C2=CC=C(C)C=C2)=O)[C@H]1OC(C)=O)N3C([N+]([O-])=O)=NC=C3)=O
Tpsa: 166.16
Logp: 1.26602
H Acceptors: 12
H Donors: 0
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:
C₁₉H₂₁N₃O₁₀S
Molecular Weight:
483.45
Synonyms:
None
SMILES:
CC(O[C@@H]1[C@H](O[C@H](COS(=O)(C2=CC=C(C)C=C2)=O)[C@H]1OC(C)=O)N3C([N+]([O-])=O)=NC=C3)=O
Tpsa:
166.16
Logp:
1.26602
H Acceptors:
12
H Donors:
0
Rotatable Bonds:
8