CS-0548817
2-(2-Oxoazepan-1-yl)ethanethioamide
Manufacturer: ChemScene
CAS Number: 172365-89-8
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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
C₈H₁₄N₂OS
Molecular Weight
186.27
Synonyms
None
SMILES
C1CCC(=O)N(CC1)CC(=S)N
Tpsa
46.33
Logp
0.6751
H Acceptors
2
H Donors
1
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: C₈H₁₄N₂OS
Molecular Weight: 186.27
Synonyms: None
SMILES: C1CCC(=O)N(CC1)CC(=S)N
Tpsa: 46.33
Logp: 0.6751
H Acceptors: 2
H Donors: 1
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:
C₈H₁₄N₂OS
Molecular Weight:
186.27
Synonyms:
None
SMILES:
C1CCC(=O)N(CC1)CC(=S)N
Tpsa:
46.33
Logp:
0.6751
H Acceptors:
2
H Donors:
1
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: C₁₁H₉NO₅S
Molecular Weight: 267.26
Synonyms: 4-(1,3,5-trioxo-1lambda4-thiomorpholin-4-yl)benzoic acid
SMILES: C1C(=O)N(C(=O)CS1=O)C2=CC=C(C=C2)C(=O)O
Tpsa: 91.75
Logp: 0.0067
H Acceptors: 4
H Donors: 1
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:
C₁₁H₉NO₅S
Molecular Weight:
267.26
Synonyms:
4-(1,3,5-trioxo-1lambda4-thiomorpholin-4-yl)benzoic acid
SMILES:
C1C(=O)N(C(=O)CS1=O)C2=CC=C(C=C2)C(=O)O
Tpsa:
91.75
Logp:
0.0067
H Acceptors:
4
H Donors:
1
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: C₈H₁₄N₂O₂
Molecular Weight: 170.21
Synonyms: 8-Oxa-1,4-diaza-spiro[5.5]undecan-5-one
SMILES: C1CC2(COC1)C(=O)NCCN2
Tpsa: 50.36
Logp: -0.745
H Acceptors: 3
H Donors: 2
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:
C₈H₁₄N₂O₂
Molecular Weight:
170.21
Synonyms:
8-Oxa-1,4-diaza-spiro[5.5]undecan-5-one
SMILES:
C1CC2(COC1)C(=O)NCCN2
Tpsa:
50.36
Logp:
-0.745
H Acceptors:
3
H Donors:
2
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: C₁₄H₂₀O
Molecular Weight: 204.31
Synonyms: None
SMILES: O=C(C=1C(=CC(=CC1C)C)C)C(C)CC
Tpsa: 17.07
Logp: 3.84066
H Acceptors: 1
H Donors: 0
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:
C₁₄H₂₀O
Molecular Weight:
204.31
Synonyms:
None
SMILES:
O=C(C=1C(=CC(=CC1C)C)C)C(C)CC
Tpsa:
17.07
Logp:
3.84066
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
3