Cas no 14923-71-8 (Hydrazinecarbothioamide, 2-(1-methylpentylidene)-)
14923-71-8 structure
Product Name:Hydrazinecarbothioamide, 2-(1-methylpentylidene)-
CAS No:14923-71-8
MF:C7H15N3S
MW:173.279099702835
CID:1320919
Update Time:2024-08-18
Hydrazinecarbothioamide, 2-(1-methylpentylidene)- Chemical and Physical Properties
Names and Identifiers
-
- Hydrazinecarbothioamide, 2-(1-methylpentylidene)-
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- Inchi： 1S/C7H15N3S/c1-3-4-5-6(2)9-10-7(8)11/h3-5H2,1-2H3,(H3,8,10,11)
- InChI Key： XXTYEHAVDCMHGU-UHFFFAOYSA-N
- SMILES： N(C(N)=S)N=C(C)CCCC
Computed Properties
- Exact Mass: 173.099
- Monoisotopic Mass: 173.099
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 154
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 1.5
Experimental Properties
- Density: 1.09±0.1 g/cm3(Predicted)
- Boiling Point: 266.8±23.0 °C(Predicted)
- pka: 12.20±0.70(Predicted)
Hydrazinecarbothioamide, 2-(1-methylpentylidene)- Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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