CS-0580779
5-Chloro-2-(3-(3-iodobenzoyl)thioureido)benzoic acid
Manufacturer: ChemScene
CAS Number: 531539-93-2
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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
C₁₅H₁₀ClIN₂O₃S
Molecular Weight
460.67
Synonyms
5-CHLORO-2-[[[(3-IODOBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
SMILES
C1=CC(=CC(=C1)I)C(=O)NC(=S)NC2=C(C=C(C=C2)Cl)C(=O)O
Tpsa
78.43
Logp
3.7696
H Acceptors
3
H Donors
3
Rotatable Bonds
3
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: C₁₅H₁₀ClIN₂O₃S
Molecular Weight: 460.67
Synonyms: 5-CHLORO-2-[[[(3-IODOBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
SMILES: C1=CC(=CC(=C1)I)C(=O)NC(=S)NC2=C(C=C(C=C2)Cl)C(=O)O
Tpsa: 78.43
Logp: 3.7696
H Acceptors: 3
H Donors: 3
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:
C₁₅H₁₀ClIN₂O₃S
Molecular Weight:
460.67
Synonyms:
5-CHLORO-2-[[[(3-IODOBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
SMILES:
C1=CC(=CC(=C1)I)C(=O)NC(=S)NC2=C(C=C(C=C2)Cl)C(=O)O
Tpsa:
78.43
Logp:
3.7696
H Acceptors:
3
H Donors:
3
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: C₁₁H₁₁Cl₂NO₃
Molecular Weight: 276.12
Synonyms: None
SMILES: O=C(O)CCNC(=O)CC1=CC=C(Cl)C=C1Cl
Tpsa: 66.4
Logp: 2.1268
H Acceptors: 2
H Donors: 2
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:
C₁₁H₁₁Cl₂NO₃
Molecular Weight:
276.12
Synonyms:
None
SMILES:
O=C(O)CCNC(=O)CC1=CC=C(Cl)C=C1Cl
Tpsa:
66.4
Logp:
2.1268
H Acceptors:
2
H Donors:
2
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: C₁₃H₁₃ClN₂O₂S
Molecular Weight: 296.77
Synonyms: 5-Thiazolecarboxylic acid, 2-[(4-chlorophenyl)amino]-4-methyl-, ethyl ester
SMILES: CCOC(=O)C1=C(N=C(S1)NC2=CC=C(C=C2)Cl)C
Tpsa: 51.22
Logp: 4.02522
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₃ClN₂O₂S
Molecular Weight:
296.77
Synonyms:
5-Thiazolecarboxylic acid, 2-[(4-chlorophenyl)amino]-4-methyl-, ethyl ester
SMILES:
CCOC(=O)C1=C(N=C(S1)NC2=CC=C(C=C2)Cl)C
Tpsa:
51.22
Logp:
4.02522
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆HBrF₃I
Molecular Weight: 336.88
Synonyms: 2-BROMO-3,4,5-TRIFLUOROIODOBENZENE
SMILES: C1=C(C(=C(C(=C1I)Br)F)F)F
Tpsa: 0
Logp: 3.471
H Acceptors: 0
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:
C₆HBrF₃I
Molecular Weight:
336.88
Synonyms:
2-BROMO-3,4,5-TRIFLUOROIODOBENZENE
SMILES:
C1=C(C(=C(C(=C1I)Br)F)F)F
Tpsa:
0
Logp:
3.471
H Acceptors:
0
H Donors:
0
Rotatable Bonds:
0