CS-1000673
Indocyanine Green Impurity 3
Manufacturer: ChemScene
CAS Number: 1201170-49-1
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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
C₄₄H₅₀N₂O₆S₂
Molecular Weight
767.01
Synonyms
None
SMILES
CC/1(C)C2=C(N(CCCCS(OC)(=O)=O)\C1=C\C=C\C=C\C=C\C3=[N+](CCCCS(=O)(=O)[O-])C4=C(C3(C)C)C=5C(C=C4)=CC=CC5)C=CC=6C2=CC=CC6
Tpsa
106.82
Logp
8.8013
H Acceptors
7
H Donors
0
Rotatable Bonds
15
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: C₄₄H₅₀N₂O₆S₂
Molecular Weight: 767.01
Synonyms: None
SMILES: CC/1(C)C2=C(N(CCCCS(OC)(=O)=O)\C1=C\C=C\C=C\C=C\C3=[N+](CCCCS(=O)(=O)[O-])C4=C(C3(C)C)C=5C(C=C4)=CC=CC5)C=CC=6C2=CC=CC6
Tpsa: 106.82
Logp: 8.8013
H Acceptors: 7
H Donors: 0
Rotatable Bonds: 15
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₄H₅₀N₂O₆S₂
Molecular Weight:
767.01
Synonyms:
None
SMILES:
CC/1(C)C2=C(N(CCCCS(OC)(=O)=O)\C1=C\C=C\C=C\C=C\C3=[N+](CCCCS(=O)(=O)[O-])C4=C(C3(C)C)C=5C(C=C4)=CC=CC5)C=CC=6C2=CC=CC6
Tpsa:
106.82
Logp:
8.8013
H Acceptors:
7
H Donors:
0
Rotatable Bonds:
15
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₃O₆PS
Molecular Weight: 280.23
Synonyms: None
SMILES: O=P(O)(OC)COS(=O)(=O)C1=CC=C(C=C1)C
Tpsa: 89.9
Logp: 1.48962
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₃O₆PS
Molecular Weight:
280.23
Synonyms:
None
SMILES:
O=P(O)(OC)COS(=O)(=O)C1=CC=C(C=C1)C
Tpsa:
89.9
Logp:
1.48962
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₃₀FO₈P
Molecular Weight: 472.44
Synonyms: None
SMILES: F[C@@]12[C@]([C@]3([C@](C)(C[C@@H]1O)C(=O)[C@@](COP(=O)(O)O)(O)[C@@H](C)C3)[H])(CCC=4[C@]2(C)C=CC(=O)C4)[H]
Tpsa: 141.36
Logp: 2.0127
H Acceptors: 6
H Donors: 4
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:
C₂₂H₃₀FO₈P
Molecular Weight:
472.44
Synonyms:
None
SMILES:
F[C@@]12[C@]([C@]3([C@](C)(C[C@@H]1O)C(=O)[C@@](COP(=O)(O)O)(O)[C@@H](C)C3)[H])(CCC=4[C@]2(C)C=CC(=O)C4)[H]
Tpsa:
141.36
Logp:
2.0127
H Acceptors:
6
H Donors:
4
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: C₂₂H₃₀FO₈P
Molecular Weight: 472.44
Synonyms: None
SMILES: F[C@@]12[C@]([C@]3([C@](C)(C[C@@H]1O)[C@@](COP(=O)(O)O)(O)C(=O)[C@@H](C)C3)[H])(CCC=4[C@]2(C)C=CC(=O)C4)[H]
Tpsa: 141.36
Logp: 2.0127
H Acceptors: 6
H Donors: 4
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:
C₂₂H₃₀FO₈P
Molecular Weight:
472.44
Synonyms:
None
SMILES:
F[C@@]12[C@]([C@]3([C@](C)(C[C@@H]1O)[C@@](COP(=O)(O)O)(O)C(=O)[C@@H](C)C3)[H])(CCC=4[C@]2(C)C=CC(=O)C4)[H]
Tpsa:
141.36
Logp:
2.0127
H Acceptors:
6
H Donors:
4
Rotatable Bonds:
3