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6938-68-7,MFCD00010147
Catalog No.:AA003HK4
6938-68-7 | 1-Methylhydrazinecarbothioamide
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5g
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$108.00
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25g
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  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003HK4
Chemical Name:
1-Methylhydrazinecarbothioamide
CAS Number:
6938-68-7
Molecular Formula:
C2H7N3S
Molecular Weight:
105.1621
MDL Number:
MFCD00010147
IUPAC Name:
1-amino-1-methylthiourea
InChI:
InChI=1S/C2H7N3S/c1-5(4)2(3)6/h4H2,1H3,(H2,3,6)
InChI Key:
IIGQLQZSWDUOBI-UHFFFAOYSA-N
SMILES:
NC(=S)N(N)C
EC Number:
230-071-5
NSC Number:
53998
Properties
Computed Properties
 
Complexity:
61.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
105.036g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
105.159g/mol
Monoisotopic Mass:
105.036g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1  

Synonyms
 
2-Methyl-3-thiosemicarbazide 
6938-68-7 
EINECS 230-071-5 
AC1MHX26 
ACMC-1B8E6 
SCHEMBL417661 
CTK4E6041 
IIGQLQZSWDUOBI-UHFFFAOYSA- 
1-Methylhydrazinecarbothioamide # 
DTXSID20219475 
ZINC5688656 
2-Methyl-3-thiosemicarbazide, 97% 
2-Methylthiosemicarbazide 
MFCD00010147 
NSC-53998 
AKOS006221418 
amino(aminomethylamino)methane-1-thione 
MCULE-8674598291 
TRA0082257 
VZ24928 
AS-49372 
BC213199 
DB-021340 
1-Methylhydrazinecarbothioamide 
TC-170445 
FT-0636297 
ST50996036 
EN300-84363 
938M687 
I09-1296 
W-104634 
InChI=1/C2H7N3S/c1-5(4)2(3)6/h4H2,1H3,(H2,3,6) 
methylaminothiourea 
C2H7N3S 
1-amino-1-methylthiourea 
C2-H7-N3-S 
CID3034190 
21185-13-7 
2-Methylamino thiourea 
Hydrazinecarbothioamide, 1-methyl- 
IIGQLQZSWDUOBI-UHFFFAOYSA-N 
Semicarbazide, 2-methyl-3-thio- 
NSC53998 
Literature

Title: Infrared spectrum, DFT: pBP86/DN** and NCA vibrational calculations of 2-methylthiosemicarbazide copper(II) nitrate [Cu(2MeTSC)2(NO3)2].

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20061001

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