AA62330
14030-84-3 | 3-Chloro-2-methyl-4-thiocyanatoaniline
Manufacturer: A2B Chem
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CatalogNumber
AA62330
ChemicalName
3-Chloro-2-methyl-4-thiocyanatoaniline
CasNumber
14030-84-3
MolecularFormula
C8H7ClN2S
MolecularWeight
198.6726
MdlNumber
MFCD11855819
Smiles
N#CSc1ccc(c(c1Cl)C)N
Complexity
201
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.8
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CatalogNumber: AA62330
ChemicalName: 3-Chloro-2-methyl-4-thiocyanatoaniline
CasNumber: 14030-84-3
MolecularFormula: C8H7ClN2S
MolecularWeight: 198.6726
MdlNumber: MFCD11855819
Smiles: N#CSc1ccc(c(c1Cl)C)N
Complexity: 201
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.8
CatalogNumber:
AA62330
ChemicalName:
3-Chloro-2-methyl-4-thiocyanatoaniline
CasNumber:
14030-84-3
MolecularFormula:
C8H7ClN2S
MolecularWeight:
198.6726
MdlNumber:
MFCD11855819
Smiles:
N#CSc1ccc(c(c1Cl)C)N
Complexity:
201
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA62332
ChemicalName: 1,3-Diethyl 2-{[(pyridin-3-yl)amino]methylidene}propanedioate
CasNumber: 14029-71-1
MolecularFormula: C13H16N2O4
MolecularWeight: 264.2771
MdlNumber: MFCD00487270
Smiles: CCOC(=O)C(=CNc1cccnc1)C(=O)OCC
Complexity: 322
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 8
Xlogp3: 2.2
CatalogNumber:
AA62332
ChemicalName:
1,3-Diethyl 2-{[(pyridin-3-yl)amino]methylidene}propanedioate
CasNumber:
14029-71-1
MolecularFormula:
C13H16N2O4
MolecularWeight:
264.2771
MdlNumber:
MFCD00487270
Smiles:
CCOC(=O)C(=CNc1cccnc1)C(=O)OCC
Complexity:
322
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
8
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CNC1C(O)C(OCC1(C)O)OC1C(N)CC(C(C1O)OC1OC(CCC1N)C(N)C)N.CNC(C1CCC(C(O1)OC1C(N)CC(C(C1O)OC1OCC(C(C1O)NC)(C)O)N)N)C.NCC1CCC(C(O1)OC1C(N)CC(C(C1O)OC1OCC(C(C1O)NC)(C)O)N)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CNC1C(O)C(OCC1(C)O)OC1C(N)CC(C(C1O)OC1OC(CCC1N)C(N)C)N.CNC(C1CCC(C(O1)OC1C(N)CC(C(C1O)OC1OCC(C(C1O)NC)(C)O)N)N)C.NCC1CCC(C(O1)OC1C(N)CC(C(C1O)OC1OCC(C(C1O)NC)(C)O)N)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__