CS-0511732
4-Mercapto-3-nitrobenzoic acid
Manufacturer: ChemScene
CAS Number: 58123-76-5
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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
C₇H₅NO₄S
Molecular Weight
199.18
Synonyms
3-Nitro-4-sulfanylbenzoic acid
SMILES
O=C(O)C1=CC([N+](=O)[O-])=C(S)C=C1
Tpsa
80.44
Logp
1.5817
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
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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: C₇H₅NO₄S
Molecular Weight: 199.18
Synonyms: 3-Nitro-4-sulfanylbenzoic acid
SMILES: O=C(O)C1=CC([N+](=O)[O-])=C(S)C=C1
Tpsa: 80.44
Logp: 1.5817
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:
C₇H₅NO₄S
Molecular Weight:
199.18
Synonyms:
3-Nitro-4-sulfanylbenzoic acid
SMILES:
O=C(O)C1=CC([N+](=O)[O-])=C(S)C=C1
Tpsa:
80.44
Logp:
1.5817
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: C₁₀H₁₄N₂O
Molecular Weight: 178.23
Synonyms: 2-(4-Ethoxyphenyl)ethanimidamide
SMILES: N=C(N)CC1=CC=C(OCC)C=C1
Tpsa: 59.1
Logp: 1.56377
H Acceptors: 2
H Donors: 2
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:
C₁₀H₁₄N₂O
Molecular Weight:
178.23
Synonyms:
2-(4-Ethoxyphenyl)ethanimidamide
SMILES:
N=C(N)CC1=CC=C(OCC)C=C1
Tpsa:
59.1
Logp:
1.56377
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
4
Purity: 98%
MDL No: MFCD11044726
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₀ClNO₂
Molecular Weight: 223.66
Synonyms: None
SMILES: COC1=CC2=C(C=C1OC)C=C(Cl)N=C2
Tpsa: 31.35
Logp: 2.9054
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
MFCD11044726
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₀ClNO₂
Molecular Weight:
223.66
Synonyms:
None
SMILES:
COC1=CC2=C(C=C1OC)C=C(Cl)N=C2
Tpsa:
31.35
Logp:
2.9054
H Acceptors:
3
H Donors:
0
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: C₁₃H₁₆N₂O₅
Molecular Weight: 280.28
Synonyms: 2-[3-(Phenylmethoxycarbonylamino)propanoylamino]acetic acid
SMILES: O=C(O)CNC(CCNC(OCC1=CC=CC=C1)=O)=O
Tpsa: 104.73
Logp: 0.5037
H Acceptors: 4
H Donors: 3
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₆N₂O₅
Molecular Weight:
280.28
Synonyms:
2-[3-(Phenylmethoxycarbonylamino)propanoylamino]acetic acid
SMILES:
O=C(O)CNC(CCNC(OCC1=CC=CC=C1)=O)=O
Tpsa:
104.73
Logp:
0.5037
H Acceptors:
4
H Donors:
3
Rotatable Bonds:
7