CS-0112211
4-Chloro-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidine
Manufacturer: ChemScene
CAS Number: 40106-63-6
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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
C₁₂H₁₃ClN₂S
Molecular Weight
252.76
Synonyms
None
SMILES
ClC1=C(C2=C(CCCCCC2)S3)C3=NC=N1
Tpsa
25.78
Logp
4.0037
H Acceptors
3
H Donors
0
Rotatable Bonds
0
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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: C₁₂H₁₃ClN₂S
Molecular Weight: 252.76
Synonyms: None
SMILES: ClC1=C(C2=C(CCCCCC2)S3)C3=NC=N1
Tpsa: 25.78
Logp: 4.0037
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₃ClN₂S
Molecular Weight:
252.76
Synonyms:
None
SMILES:
ClC1=C(C2=C(CCCCCC2)S3)C3=NC=N1
Tpsa:
25.78
Logp:
4.0037
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₂INO₄S
Molecular Weight: 369.18
Synonyms: Benzoic acid, 5-amino-4-iodo-2-[(methylsulfonyl)methyl]-, methyl ester
SMILES: O=C(OC)C1=CC(N)=C(I)C=C1CS(=O)(C)=O
Tpsa: 86.46
Logp: 1.2046
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₂INO₄S
Molecular Weight:
369.18
Synonyms:
Benzoic acid, 5-amino-4-iodo-2-[(methylsulfonyl)methyl]-, methyl ester
SMILES:
O=C(OC)C1=CC(N)=C(I)C=C1CS(=O)(C)=O
Tpsa:
86.46
Logp:
1.2046
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₆BF₂NO₂
Molecular Weight: 255.07
Synonyms: None
SMILES: NC1=CC=C(B2OC(C)(C)C(C)(C)O2)C(F)=C1F
Tpsa: 44.48
Logp: 1.8462
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₆BF₂NO₂
Molecular Weight:
255.07
Synonyms:
None
SMILES:
NC1=CC=C(B2OC(C)(C)C(C)(C)O2)C(F)=C1F
Tpsa:
44.48
Logp:
1.8462
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: MFCD24386648
Storage: -20°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₇H₃₂F₆N₂O₂
Molecular Weight: 530.55
Synonyms: None
SMILES: O=C([C@H]1CC[C@]2([H])[C@]1(C)CC[C@]3([H])[C@@]4(C)CCC(N[C@]4([H])CC[C@]32[H])=O)NC5=CC(C(F)(F)F)=CC=C5C(F)(F)F
Tpsa: 58.2
Logp: 6.8001
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 2
Purity:
98%
MDL No:
MFCD24386648
Storage:
-20°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₇H₃₂F₆N₂O₂
Molecular Weight:
530.55
Synonyms:
None
SMILES:
O=C([C@H]1CC[C@]2([H])[C@]1(C)CC[C@]3([H])[C@@]4(C)CCC(N[C@]4([H])CC[C@]32[H])=O)NC5=CC(C(F)(F)F)=CC=C5C(F)(F)F
Tpsa:
58.2
Logp:
6.8001
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
2