AC51017
77152-97-7 | tert-Butyl n-(3-amino-3-thioxopropyl)carbamate
Manufacturer: A2B Chem
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CatalogNumber
AC51017
ChemicalName
tert-Butyl n-(3-amino-3-thioxopropyl)carbamate
CasNumber
77152-97-7
MolecularFormula
C8H16N2O2S
MolecularWeight
204.2898
MdlNumber
MFCD02180883
Smiles
O=C(OC(C)(C)C)NCCC(=S)N
NscNumber
655427
Complexity
199
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
5
Xlogp3
0.4
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CatalogNumber: AC51017
ChemicalName: tert-Butyl n-(3-amino-3-thioxopropyl)carbamate
CasNumber: 77152-97-7
MolecularFormula: C8H16N2O2S
MolecularWeight: 204.2898
MdlNumber: MFCD02180883
Smiles: O=C(OC(C)(C)C)NCCC(=S)N
NscNumber: 655427
Complexity: 199
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 5
Xlogp3: 0.4
CatalogNumber:
AC51017
ChemicalName:
tert-Butyl n-(3-amino-3-thioxopropyl)carbamate
CasNumber:
77152-97-7
MolecularFormula:
C8H16N2O2S
MolecularWeight:
204.2898
MdlNumber:
MFCD02180883
Smiles:
O=C(OC(C)(C)C)NCCC(=S)N
NscNumber:
655427
Complexity:
199
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
5
Xlogp3:
0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(=O)CC(c1ccc(o1)c1ccc(cc1)[N+](=O)[O-])N
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=O)CC(c1ccc(o1)c1ccc(cc1)[N+](=O)[O-])N
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AC51025
ChemicalName: 8-Bromo-4(1h)-quinazolinone
CasNumber: 77150-35-7
MolecularFormula: C8H5BrN2O
MolecularWeight: 225.0421
MdlNumber: MFCD10699396
Smiles: Brc1cccc2c1[nH]cnc2=O
NscNumber: __
Complexity: 229
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 1.4
CatalogNumber:
AC51025
ChemicalName:
8-Bromo-4(1h)-quinazolinone
CasNumber:
77150-35-7
MolecularFormula:
C8H5BrN2O
MolecularWeight:
225.0421
MdlNumber:
MFCD10699396
Smiles:
Brc1cccc2c1[nH]cnc2=O
NscNumber:
__
Complexity:
229
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)Nc1ccc(cc1)Sc1ccc(cc1F)N
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)Nc1ccc(cc1)Sc1ccc(cc1F)N
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__