AB50316
13368-86-0 | 1,2,5-Thiadiazole-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB50316
ChemicalName
1,2,5-Thiadiazole-3-carboxylic acid
CasNumber
13368-86-0
MolecularFormula
C3H2N2O2S
MolecularWeight
130.1252
MdlNumber
MFCD01334979
Smiles
OC(=O)c1cnsn1
Complexity
108
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.2
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CatalogNumber: AB50316
ChemicalName: 1,2,5-Thiadiazole-3-carboxylic acid
CasNumber: 13368-86-0
MolecularFormula: C3H2N2O2S
MolecularWeight: 130.1252
MdlNumber: MFCD01334979
Smiles: OC(=O)c1cnsn1
Complexity: 108
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.2
CatalogNumber:
AB50316
ChemicalName:
1,2,5-Thiadiazole-3-carboxylic acid
CasNumber:
13368-86-0
MolecularFormula:
C3H2N2O2S
MolecularWeight:
130.1252
MdlNumber:
MFCD01334979
Smiles:
OC(=O)c1cnsn1
Complexity:
108
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-]P(=O)(O)O.[O-]P(=O)(O)O.[Zn+2]
Complexity: 49.8
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-]P(=O)(O)O.[O-]P(=O)(O)O.[Zn+2]
Complexity:
49.8
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB50318
ChemicalName: Z-D-Phe-OH
CasNumber: 2448-45-5
MolecularFormula: C17H17NO4
MolecularWeight: 299.3212
MdlNumber: MFCD00063151
Smiles: O=C(N[C@@H](C(=O)O)Cc1ccccc1)OCc1ccccc1
Complexity: 360
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 7
Xlogp3: 2.1
CatalogNumber:
AB50318
ChemicalName:
Z-D-Phe-OH
CasNumber:
2448-45-5
MolecularFormula:
C17H17NO4
MolecularWeight:
299.3212
MdlNumber:
MFCD00063151
Smiles:
O=C(N[C@@H](C(=O)O)Cc1ccccc1)OCc1ccccc1
Complexity:
360
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
7
Xlogp3:
2.1
CatalogNumber: AB50319
ChemicalName: 1,13-Tridecanediol
CasNumber: 13362-52-2
MolecularFormula: C13H28O2
MolecularWeight: 216.3602
MdlNumber: MFCD00482067
Smiles: OCCCCCCCCCCCCCO
Complexity: 92.7
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 12
Xlogp3: 4.1
CatalogNumber:
AB50319
ChemicalName:
1,13-Tridecanediol
CasNumber:
13362-52-2
MolecularFormula:
C13H28O2
MolecularWeight:
216.3602
MdlNumber:
MFCD00482067
Smiles:
OCCCCCCCCCCCCCO
Complexity:
92.7
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
12
Xlogp3:
4.1